Authors: Hagen Holthusen, Kevin Linka, Ellen Kuhl, Tim Brepols
Abstract: We present a methodology for designing a generalized dual potential, or pseudo potential, for inelastic Constitutive Artificial Neural Networks (iCANNs). This potential, expressed in terms of stress invariants, inherently satisfies thermodynamic consistency for large deformations. In comparison to our previous work, the new potential captures a broader spectrum of material behaviors, including pressure-sensitive inelasticity. To this end, we revisit the underlying thermodynamic framework of iCANNs for finite strain inelasticity and derive conditions for constructing a convex, zero-valued, and non-negative dual potential. To embed these principles in a neural network, we detail the architecture's design, ensuring a priori compliance with thermodynamics. To evaluate the proposed architecture, we study its performance and limitations discovering visco-elastic material behavior, though the method is not limited to visco-elasticity. In this context, we investigate different aspects in the strategy of discovering inelastic materials. Our results indicate that the novel architecture robustly discovers interpretable models and parameters, while autonomously revealing the degree of inelasticity. The iCANN framework, implemented in JAX, is publicly accessible at https://doi.org/10.5281/zenodo.14894687.
Authors: Christopher Edwards, Ralph C Smith
Abstract: In the event of a nuclear accident, or the detonation of a radiological dispersal device, quickly locating the source of the accident or blast is important for emergency response and environmental decontamination. At a specified time after a simulated instantaneous release of an aerosolized radioactive contaminant, measurements are recorded downwind from an array of radiation sensors. Neural networks are employed to infer the source release parameters in an accurate and rapid manner using sensor and mean wind speed data. We consider two neural network constructions that quantify the uncertainty of the predicted values; a categorical classification neural network and a Bayesian neural network. With the categorical classification neural network, we partition the spatial domain and treat each partition as a separate class for which we estimate the probability that it contains the true source location. In a Bayesian neural network, the weights and biases have a distribution rather than a single optimal value. With each evaluation, these distributions are sampled, yielding a different prediction with each evaluation. The trained Bayesian neural network is thus evaluated to construct posterior densities for the release parameters. Results are compared to Markov chain Monte Carlo (MCMC) results found using the Delayed Rejection Adaptive Metropolis Algorithm. The Bayesian neural network approach is generally much cheaper computationally than the MCMC approach as it relies on the computational cost of the neural network evaluation to generate posterior densities as opposed to the MCMC approach which depends on the computational expense of the transport and radiation detection models.
Authors: Ruoyu Guo, Haochen Qiu
Abstract: Making consistently profitable financial decisions in a continuously evolving and volatile stock market has always been a difficult task. Professionals from different disciplines have developed foundational theories to anticipate price movement and evaluate securities such as the famed Capital Asset Pricing Model (CAPM). In recent years, the role of artificial intelligence (AI) in asset pricing has been growing. Although the black-box nature of deep learning models lacks interpretability, they have continued to solidify their position in the financial industry. We aim to further enhance AI's potential and utility by introducing a return-weighted loss function that will drive top growth while providing the ML models a limited amount of information. Using only publicly accessible stock data (open/close/high/low, trading volume, sector information) and several technical indicators constructed from them, we propose an efficient daily trading system that detects top growth opportunities. Our best models achieve 61.73% annual return on daily rebalancing with an annualized Sharpe Ratio of 1.18 over 1340 testing days from 2019 to 2024, and 37.61% annual return with an annualized Sharpe Ratio of 0.97 over 1360 testing days from 2005 to 2010. The main drivers for success, especially independent of any domain knowledge, are the novel return-weighted loss function, the integration of categorical and continuous data, and the ML model architecture. We also demonstrate the superiority of our novel loss function over traditional loss functions via several performance metrics and statistical evidence.
Authors: Mauricio Herrera, Francisca Kleisinger, Andr\'es Wils\'on
Abstract: Effective resource management and environmental planning in regions with high climatic variability, such as Chile, demand advanced predictive tools. This study addresses this challenge by employing an innovative and computationally efficient hybrid methodology that integrates machine learning (ML) methods for time series forecasting with established statistical techniques. The spatiotemporal data undergo decomposition using time-dependent Empirical Orthogonal Functions (EOFs), denoted as \(\phi_{k}(t)\), and their corresponding spatial coefficients, \(\alpha_{k}(s)\), to reduce dimensionality. Wavelet analysis provides high-resolution time and frequency information from the \(\phi_{k}(t)\) functions, while neural networks forecast these functions within a medium-range horizon \(h\). By utilizing various ML models, particularly a Wavelet - ANN hybrid model, we forecast \(\phi_{k}(t+h)\) up to a time horizon \(h\), and subsequently reconstruct the spatiotemporal data using these extended EOFs. This methodology is applied to a grid of climate data covering the territory of Chile. It transitions from a high-dimensional multivariate spatiotemporal data forecasting problem to a low-dimensional univariate forecasting problem. Additionally, cluster analysis with Dynamic Time Warping for defining similarities between rainfall time series, along with spatial coherence and predictability assessments, has been instrumental in identifying geographic areas where model performance is enhanced. This approach also elucidates the reasons behind poor forecast performance in regions or clusters with low spatial coherence and predictability. By utilizing cluster medoids, the forecasting process becomes more practical and efficient. This compound approach significantly reduces computational complexity while generating forecasts of reasonable accuracy and utility.
Authors: Tokey Tahmid, Mark Gates, Piotr Luszczek, Catherine D. Schuman
Abstract: In this era of AI revolution, massive investments in large-scale data-driven AI systems demand high-performance computing, consuming tremendous energy and resources. This trend raises new challenges in optimizing sustainability without sacrificing scalability or performance. Among the energy-efficient alternatives of the traditional Von Neumann architecture, neuromorphic computing and its Spiking Neural Networks (SNNs) are a promising choice due to their inherent energy efficiency. However, in some real-world application scenarios such as complex continuous control tasks, SNNs often lack the performance optimizations that traditional artificial neural networks have. Researchers have addressed this by combining SNNs with Deep Reinforcement Learning (DeepRL), yet scalability remains unexplored. In this paper, we extend our previous work on SpikeRL, which is a scalable and energy efficient framework for DeepRL-based SNNs for continuous control. In our initial implementation of SpikeRL framework, we depended on the population encoding from the Population-coded Spiking Actor Network (PopSAN) method for our SNN model and implemented distributed training with Message Passing Interface (MPI) through mpi4py. Also, further optimizing our model training by using mixed-precision for parameter updates. In our new SpikeRL framework, we have implemented our own DeepRL-SNN component with population encoding, and distributed training with PyTorch Distributed package with NCCL backend while still optimizing with mixed precision training. Our new SpikeRL implementation is 4.26X faster and 2.25X more energy efficient than state-of-the-art DeepRL-SNN methods. Our proposed SpikeRL framework demonstrates a truly scalable and sustainable solution for complex continuous control tasks in real-world applications.
Authors: Yushi Zhang, Shuai Su, Yong Wang, Yanzhong Yao
Abstract: This paper develops a novel deep learning approach for solving evolutionary equations, which integrates sequential learning strategies with an enhanced hard constraint strategy featuring trainable parameters, addressing the low computational accuracy of standard Physics-Informed Neural Networks (PINNs) in large temporal domains.Sequential learning strategies divide a large temporal domain into multiple subintervals and solve them one by one in a chronological order, which naturally respects the principle of causality and improves the stability of the PINN solution. The improved hard constraint strategy strictly ensures the continuity and smoothness of the PINN solution at time interval nodes, and at the same time passes the information from the previous interval to the next interval, which avoids the incorrect/trivial solution at the position far from the initial time. Furthermore, by investigating the requirements of different types of equations on hard constraints, we design a novel influence function with trainable parameters for hard constraints, which provides theoretical and technical support for the effective implementations of hard constraint strategies, and significantly improves the universality and computational accuracy of our method. In addition, an adaptive time-domain partitioning algorithm is proposed, which plays an important role in the application of the proposed method as well as in the improvement of computational efficiency and accuracy. Numerical experiments verify the performance of the method. The data and code accompanying this paper are available at https://github.com/zhizhi4452/HCS.
Authors: Zetian Sun, Dongfang Li, Baotian Hu, Jun Yu, Min Zhang
Abstract: In the Large Language Model(LLM) reasoning scenario, people often estimate state value via Monte Carlo sampling. Though Monte Carlo estimation is an elegant method with less inductive bias, noise and errors are inevitably introduced due to the limited sampling. To handle the problem, we inject the structural prior into the value representation and transfer the scalar value into the expectation of a pre-defined categorical distribution, representing the noise and errors from a distribution perspective. Specifically, by treating the result of Monte Carlo sampling as a single sample from the prior ground-truth Binomial distribution, we quantify the sampling error as the mismatch between posterior estimated distribution and ground-truth distribution, which is thus optimized via distribution selection optimization. We test the performance of value-based process verifiers on Best-of-N task and Beam search task. Compared with the scalar value representation, we show that reasonable structural prior injection induced by different objective functions or optimization methods can improve the performance of value-based process verifiers for about 1$\sim$2 points at little-to-no cost. We also show that under different structural prior, the verifiers' performances vary greatly despite having the same optimal solution, indicating the importance of reasonable structural prior injection.
Authors: Andrzej Cichocki
Abstract: In this paper we propose and investigate a new class of Generalized Exponentiated Gradient (GEG) algorithms using Mirror Descent (MD) approaches, and applying as a regularization function the Bregman divergence with two-parameter deformation of logarithm as a link function. This link function (referred to as the Euler logarithm) is associated with a wide class of generalized entropies. In order to derive novel GEG/MD updates, we estimate generalized exponential function, which closely approximates the inverse of the Euler two-parameter logarithm. The characteristic/shape and properties of the Euler logarithm and its inverse -- deformed exponential functions are tuned by two or even more hyperparameters. By learning these hyperparameters, we can adapt to distribution of training data, and we can adjust them to achieve desired properties of gradient descent algorithms. The concept of generalized entropies and associated deformed logarithms provide deeper insight into novel gradient descent updates. In literature, there exist nowadays over fifty mathematically well-defined entropic functionals and associated deformed logarithms, so impossible to investigate all of them in one research paper. Therefore, we focus here on a wide-class of trace-form entropies and associated generalized logarithm. We applied the developed algorithms for Online Portfolio Selection (OPLS) in order to improve its performance and robustness.
Authors: Qiheng Sun, Hongwei Zhang, Haocheng Xia, Jiayao Zhang, Jinfei Liu, Kui Ren
Abstract: Large language models (LLMs) have achieved remarkable success on various aspects of human life. However, one of the major challenges in deploying these models is the substantial memory consumption required to store key-value pairs (KV), which imposes significant resource demands. Recent research has focused on KV cache budget allocation, with several approaches proposing head-level budget distribution by evaluating the importance of individual attention heads. These methods, however, assess the importance of heads independently, overlooking their cooperative contributions within the model, which may result in a deviation from their true impact on model performance. In light of this limitation, we propose CoKV, a novel method that models the cooperation between heads in model inference as a cooperative game. By evaluating the contribution of each head within the cooperative game, CoKV can allocate the cache budget more effectively. Extensive experiments show that CoKV achieves state-of-the-art performance on the LongBench benchmark using LLama-3-8B-Instruct and Mistral-7B models.
Authors: Alice Natalina Caragliano, Filippo Ruffini, Carlo Greco, Edy Ippolito, Michele Fiore, Claudia Tacconi, Lorenzo Nibid, Giuseppe Perrone, Sara Ramella, Paolo Soda, Valerio Guarrasi
Abstract: Non-small cell lung cancer (NSCLC) remains a major global health challenge, with high post-surgical recurrence rates underscoring the need for accurate pathological response predictions to guide personalized treatments. Although artificial intelligence models show promise in this domain, their clinical adoption is limited by the lack of medically grounded guidance during training, often resulting in non-explainable intrinsic predictions. To address this, we propose Doctor-in-the-Loop, a novel framework that integrates expert-driven domain knowledge with explainable artificial intelligence techniques, directing the model toward clinically relevant anatomical regions and improving both interpretability and trustworthiness. Our approach employs a gradual multi-view strategy, progressively refining the model's focus from broad contextual features to finer, lesion-specific details. By incorporating domain insights at every stage, we enhance predictive accuracy while ensuring that the model's decision-making process aligns more closely with clinical reasoning. Evaluated on a dataset of NSCLC patients, Doctor-in-the-Loop delivers promising predictive performance and provides transparent, justifiable outputs, representing a significant step toward clinically explainable artificial intelligence in oncology.
Authors: Namkyeong Lee, Edward De Brouwer, Ehsan Hajiramezanali, Chanyoung Park, Gabriele Scalia
Abstract: Recent advances in large language models (LLMs) have shown great potential to accelerate drug discovery. However, the specialized nature of biochemical data often necessitates costly domain-specific fine-tuning, posing critical challenges. First, it hinders the application of more flexible general-purpose LLMs in cutting-edge drug discovery tasks. More importantly, it impedes the rapid integration of the vast amounts of scientific data continuously generated through experiments and research. To investigate these challenges, we propose CLADD, a retrieval-augmented generation (RAG)-empowered agentic system tailored to drug discovery tasks. Through the collaboration of multiple LLM agents, CLADD dynamically retrieves information from biomedical knowledge bases, contextualizes query molecules, and integrates relevant evidence to generate responses -- all without the need for domain-specific fine-tuning. Crucially, we tackle key obstacles in applying RAG workflows to biochemical data, including data heterogeneity, ambiguity, and multi-source integration. We demonstrate the flexibility and effectiveness of this framework across a variety of drug discovery tasks, showing that it outperforms general-purpose and domain-specific LLMs as well as traditional deep learning approaches.
Authors: Kavosh Asadi, Julien Han, Xingzi Xu, Dominique Perrault-Joncas, Shoham Sabach, Karim Bouyarmane, Mohammad Ghavamzadeh
Abstract: Direct preference optimization (DPO)-style algorithms have emerged as a promising approach for solving the alignment problem in AI. We present a novel perspective that formulates these algorithms as implicit classification algorithms. This classification framework enables us to recover many variants of DPO-style algorithms by choosing appropriate classification labels and loss functions. We then leverage this classification framework to demonstrate that the underlying problem solved in these algorithms is under-specified, making them susceptible to probability collapse of the winner-loser responses. We address this by proposing a set of constraints designed to control the movement of probability mass between the winner and loser in the reference and target policies. Our resulting algorithm, which we call Constrained Controlled Classification DPO (\texttt{C-3DPO}), has a meaningful RLHF interpretation. By hedging against probability collapse, \texttt{C-3DPO} provides practical improvements over vanilla \texttt{DPO} when aligning several large language models using standard preference datasets.
Authors: Yujie Feng, Xujia Wang, Zexin Lu, Shenghong Fu, Guangyuan Shi, Yongxin Xu, Yasha Wang, Philip S. Yu, Xu Chu, Xiao-Ming Wu
Abstract: Continual learning (CL) is crucial for deploying large language models (LLMs) in dynamic real-world environments without costly retraining. While recent model ensemble and model merging methods guided by parameter importance have gained popularity, they often struggle to balance knowledge transfer and forgetting, mainly due to the reliance on static importance estimates during sequential training. In this paper, we present Recurrent-KIF, a novel CL framework for Recurrent Knowledge Identification and Fusion, which enables dynamic estimation of parameter importance distributions to enhance knowledge transfer. Inspired by human continual learning, Recurrent-KIF employs an inner loop that rapidly adapts to new tasks while identifying important parameters, coupled with an outer loop that globally manages the fusion of new and historical knowledge through redundant knowledge pruning and key knowledge merging. These inner-outer loops iteratively perform multiple rounds of fusion, allowing Recurrent-KIF to leverage intermediate training information and adaptively adjust fusion strategies based on evolving importance distributions. Extensive experiments on two CL benchmarks with various model sizes (from 770M to 13B) demonstrate that Recurrent-KIF effectively mitigates catastrophic forgetting and enhances knowledge transfer.
Authors: Mohammed Al Kobaisi, Wenjuan Zhang, Waleed Diab, Hadi Hajibeygi
Abstract: In the past three decades, a wide array of computational methodologies and simulation frameworks has emerged to address the complexities of modeling multi-phase flow and transport processes in fractured porous media. The conformal mesh approaches which explicitly align the computational grid with fracture surfaces are considered by many to be the most accurate. However, such methods require excessive fine-scale meshing, rendering them impractical for large or complex fracture networks. In this work, we propose to learn the complex multi-phase flow and transport dynamics in fractured porous media with graph neural networks (GNN). GNNs are well suited for this task due to the unstructured topology of the computation grid resulting from the Embedded Discrete Fracture Model (EDFM) discretization. We propose two deep learning architectures, a GNN and a recurrent GNN. Both networks follow a two-stage training strategy: an autoregressive one step roll-out, followed by a fine-tuning step where the model is supervised using the whole ground-truth sequence. We demonstrate that the two-stage training approach is effective in mitigating error accumulation during autoregressive model rollouts in the testing phase. Our findings indicate that both GNNs generalize well to unseen fracture realizations, with comparable performance in forecasting saturation sequences, and slightly better performance for the recurrent GNN in predicting pressure sequences. While the second stage of training proved to be beneficial for the GNN model, its impact on the recurrent GNN model was less pronounced. Finally, the performance of both GNNs for temporal extrapolation is tested. The recurrent GNN significantly outperformed the GNN in terms of accuracy, thereby underscoring its superior capability in predicting long sequences.
Authors: Fran\c{c}ois Charton
Abstract: This paper documents Int2Int, an open source code base for using transformers on problems of mathematical research, with a focus on number theory and other problems involving integers. Int2Int is a complete PyTorch implementation of a transformer architecture, together with training and evaluation loops, and classes and functions to represent, generate and decode common mathematical objects. Ancillary code for data preparation, and Jupyter Notebooks for visualizing experimental results are also provided. This document presents the main features of Int2Int, serves as its user manual, and provides guidelines on how to extend it. Int2Int is released under the MIT licence, at https://github.com/FacebookResearch/Int2Int.
Authors: Hantao Lou, Changye Li, Jiaming Ji, Yaodong Yang
Abstract: With the integration of image modality, the semantic space of multimodal large language models (MLLMs) is more complex than text-only models, making their interpretability more challenging and their alignment less stable, particularly susceptible to low-quality data, which can lead to inconsistencies between modalities, hallucinations, and biased outputs. As a result, developing interpretability methods for MLLMs is crucial for improving alignment quality and efficiency. In text-only LLMs, Sparse Autoencoders (SAEs) have gained attention for their ability to interpret latent representations. However, extending SAEs to multimodal settings presents new challenges due to modality fusion and the difficulty of isolating cross-modal representations. To address these challenges, we introduce SAE-V, a mechanistic interpretability framework that extends the SAE paradigm to MLLMs. By identifying and analyzing interpretable features along with their corresponding data, SAE-V enables fine-grained interpretation of both model behavior and data quality, facilitating a deeper understanding of cross-modal interactions and alignment dynamics. Moreover, by utilizing cross-modal feature weighting, SAE-V provides an intrinsic data filtering mechanism to enhance model alignment without requiring additional models. Specifically, when applied to the alignment process of MLLMs, SAE-V-based data filtering methods could achieve more than 110% performance with less than 50% data. Our results highlight SAE-V's ability to enhance interpretability and alignment in MLLMs, providing insights into their internal mechanisms.
Authors: Jiaming Zhang, Mingxi Lei, Meng Ding, Mengdi Li, Zihang Xiang, Difei Xu, Jinhui Xu, Di Wang
Abstract: Reinforcement Learning with Human Feedback (RLHF) has emerged as an influential technique, enabling the alignment of large language models (LLMs) with human preferences. Despite the promising potential of RLHF, how to protect user preference privacy has become a crucial issue. Most previous work has focused on using differential privacy (DP) to protect the privacy of individual data. However, they have concentrated primarily on item-level privacy protection and have unsatisfactory performance for user-level privacy, which is more common in RLHF. This study proposes a novel framework, AUP-RLHF, which integrates user-level label DP into RLHF. We first show that the classical random response algorithm, which achieves an acceptable performance in item-level privacy, leads to suboptimal utility when in the user-level settings. We then establish a lower bound for the user-level label DP-RLHF and develop the AUP-RLHF algorithm, which guarantees $(\varepsilon, \delta)$ user-level privacy and achieves an improved estimation error. Experimental results show that AUP-RLHF outperforms existing baseline methods in sentiment generation and summarization tasks, achieving a better privacy-utility trade-off.
Authors: Zihao Lin, Samyadeep Basu, Mohammad Beigi, Varun Manjunatha, Ryan A. Rossi, Zichao Wang, Yufan Zhou, Sriram Balasubramanian, Arman Zarei, Keivan Rezaei, Ying Shen, Barry Menglong Yao, Zhiyang Xu, Qin Liu, Yuxiang Zhang, Yan Sun, Shilong Liu, Li Shen, Hongxuan Li, Soheil Feizi, Lifu Huang
Abstract: The rise of foundation models has transformed machine learning research, prompting efforts to uncover their inner workings and develop more efficient and reliable applications for better control. While significant progress has been made in interpreting Large Language Models (LLMs), multimodal foundation models (MMFMs) - such as contrastive vision-language models, generative vision-language models, and text-to-image models - pose unique interpretability challenges beyond unimodal frameworks. Despite initial studies, a substantial gap remains between the interpretability of LLMs and MMFMs. This survey explores two key aspects: (1) the adaptation of LLM interpretability methods to multimodal models and (2) understanding the mechanistic differences between unimodal language models and crossmodal systems. By systematically reviewing current MMFM analysis techniques, we propose a structured taxonomy of interpretability methods, compare insights across unimodal and multimodal architectures, and highlight critical research gaps.
Authors: Zheli Xiong
Abstract: This paper presents a comprehensive study on the use of ensemble Reinforcement Learning (RL) models in financial trading strategies, leveraging classifier models to enhance performance. By combining RL algorithms such as A2C, PPO, and SAC with traditional classifiers like Support Vector Machines (SVM), Decision Trees, and Logistic Regression, we investigate how different classifier groups can be integrated to improve risk-return trade-offs. The study evaluates the effectiveness of various ensemble methods, comparing them with individual RL models across key financial metrics, including Cumulative Returns, Sharpe Ratios (SR), Calmar Ratios, and Maximum Drawdown (MDD). Our results demonstrate that ensemble methods consistently outperform base models in terms of risk-adjusted returns, providing better management of drawdowns and overall stability. However, we identify the sensitivity of ensemble performance to the choice of variance threshold {\tau}, highlighting the importance of dynamic {\tau} adjustment to achieve optimal performance. This study emphasizes the value of combining RL with classifiers for adaptive decision-making, with implications for financial trading, robotics, and other dynamic environments.
Authors: Zeev Yampolsky, Ofir Kruzel, Victoria Khalfin Fekson, Itzik Klein
Abstract: Inertial sensors are crucial for recognizing pedestrian activity. Recent advances in deep learning have greatly improved inertial sensing performance and robustness. Different domains and platforms use deep-learning techniques to enhance network performance, but there is no common benchmark. The latter is crucial for fair comparison and evaluation within a standardized framework. The aim of this paper is to fill this gap by defining and analyzing ten data-driven techniques for improving neural inertial classification networks. In order to accomplish this, we focused on three aspects of neural networks: network architecture, data augmentation, and data preprocessing. The experiments were conducted across four datasets collected from 78 participants. In total, over 936 minutes of inertial data sampled between 50-200Hz were analyzed. Data augmentation through rotation and multi-head architecture consistently yields the most significant improvements. Additionally, this study outlines benchmarking strategies for enhancing neural inertial classification networks.
Authors: Simin Chen, Yiming Chen, Zexin Li, Yifan Jiang, Zhongwei Wan, Yixin He, Dezhi Ran, Tianle Gu, Haizhou Li, Tao Xie, Baishakhi Ray
Abstract: Data contamination has received increasing attention in the era of large language models (LLMs) due to their reliance on vast Internet-derived training corpora. To mitigate the risk of potential data contamination, LLM benchmarking has undergone a transformation from static to dynamic benchmarking. In this work, we conduct an in-depth analysis of existing static to dynamic benchmarking methods aimed at reducing data contamination risks. We first examine methods that enhance static benchmarks and identify their inherent limitations. We then highlight a critical gap-the lack of standardized criteria for evaluating dynamic benchmarks. Based on this observation, we propose a series of optimal design principles for dynamic benchmarking and analyze the limitations of existing dynamic benchmarks. This survey provides a concise yet comprehensive overview of recent advancements in data contamination research, offering valuable insights and a clear guide for future research efforts. We maintain a GitHub repository to continuously collect both static and dynamic benchmarking methods for LLMs. The repository can be found at this link.
Authors: Nicolas Bessone
Abstract: Graph Neural Networks (GNNs) have emerged as a powerful tool for learning on graph-structured data, finding applications in numerous domains including social network analysis and molecular biology. Within this broad category, Asynchronous Recurrent Graph Neural Networks (ARGNNs) stand out for their ability to capture complex dependencies in dynamic graphs, resembling living organisms' intricate and adaptive nature. However, their complexity often leads to large and computationally expensive models. Therefore, pruning unnecessary edges becomes crucial for enhancing efficiency without significantly compromising performance. This paper presents a dynamic pruning method based on graph spectral theory, leveraging the imaginary component of the eigenvalues of the network graph's Laplacian.
Authors: D. Dhinakaran, S. Edwin Raja, S. Gopalakrishnan, D. Selvaraj, S. D. Lalitha
Abstract: Accurately representing the complex linkages and inherent uncertainties included in huge datasets is still a major difficulty in the field of data clustering. We address these issues with our proposed Unified Neutrosophic Clustering Algorithm (UNCA), which combines a multifaceted strategy with Neutrosophic logic to improve clustering performance. UNCA starts with a full-fledged similarity examination via a {\lambda}-cutting matrix that filters meaningful relationships between each two points of data. Then, we initialize centroids for Neutrosophic K-Means clustering, where the membership values are based on their degrees of truth, indeterminacy and falsity. The algorithm then integrates with a dynamic network visualization and MST (Minimum Spanning Tree) so that a visual interpretation of the relationships between the clusters can be clearly represented. UNCA employs SingleValued Neutrosophic Sets (SVNSs) to refine cluster assignments, and after fuzzifying similarity measures, guarantees a precise clustering result. The final step involves solidifying the clustering results through defuzzification methods, offering definitive cluster assignments. According to the performance evaluation results, UNCA outperforms conventional approaches in several metrics: it achieved a Silhouette Score of 0.89 on the Iris Dataset, a Davies-Bouldin Index of 0.59 on the Wine Dataset, an Adjusted Rand Index (ARI) of 0.76 on the Digits Dataset, and a Normalized Mutual Information (NMI) of 0.80 on the Customer Segmentation Dataset. These results demonstrate how UNCA enhances interpretability and resilience in addition to improving clustering accuracy when contrasted with Fuzzy C-Means (FCM), Neutrosophic C-Means (NCM), as well as Kernel Neutrosophic C-Means (KNCM). This makes UNCA a useful tool for complex data processing tasks
Authors: Khaoula Otmani (AU, LIA), Rachid Elazouzi (LIA, CMU), Vincent Labatut (AU, LIA)
Abstract: In Federated Learning (FL), several clients jointly learn a machine learning model: each client maintains a local model for its local learning dataset, while a master server maintains a global model by aggregating the local models of the client devices. However, the repetitive communication between server and clients leaves room for attacks aimed at compromising the integrity of the global model, causing errors in its targeted predictions. In response to such threats on FL, various defense measures have been proposed in the literature. In this paper, we present a powerful defense against malicious clients in FL, called FedSV, using the Shapley Value (SV), which has been proposed recently to measure user contribution in FL by computing the marginal increase of average accuracy of the model due to the addition of local data of a user. Our approach makes the identification of malicious clients more robust, since during the learning phase, it estimates the contribution of each client according to the different groups to which the target client belongs. FedSV's effectiveness is demonstrated by extensive experiments on MNIST datasets in a cross-silo context under various attacks.
Authors: Zhenheng Tang, Xiang Liu, Qian Wang, Peijie Dong, Bingsheng He, Xiaowen Chu, Bo Li
Abstract: Motivated by reducing the computational and storage costs of LLMs, model compression and KV cache compression have attracted much attention from researchers. However, current methods predominantly emphasize maintaining the performance of compressed LLMs, as measured by perplexity or simple accuracy on tasks of common sense knowledge QA and basic arithmetic reasoning. In this blog, we present a brief review of recent advancements in LLMs related to retrieval-augmented generation, multi-step reasoning, external tools, and computational expressivity, all of which substantially enhance LLM performance. Then, we propose a lottery LLM hypothesis suggesting that for a given LLM and task, there exists a smaller lottery LLM capable of producing the same performance as the original LLM with the assistance of multi-step reasoning and external tools. Based on the review of current progress in LLMs, we discuss and summarize the essential capabilities that the lottery LLM and KV cache compression must possess, which are currently overlooked in existing methods.
Authors: Lucas Beerens, Alex D. Richardson, Kaicheng Zhang, Dongdong Chen
Abstract: The proliferation of text-to-image diffusion models has raised significant privacy and security concerns, particularly regarding the generation of copyrighted or harmful images. To address these issues, research on machine unlearning has developed various concept erasure methods, which aim to remove the effect of unwanted data through post-hoc training. However, we show these erasure techniques are vulnerable, where images of supposedly erased concepts can still be generated using adversarially crafted prompts. We introduce RECORD, a coordinate-descent-based algorithm that discovers prompts capable of eliciting the generation of erased content. We demonstrate that RECORD significantly beats the attack success rate of current state-of-the-art attack methods. Furthermore, our findings reveal that models subjected to concept erasure are more susceptible to adversarial attacks than previously anticipated, highlighting the urgency for more robust unlearning approaches. We open source all our code at https://github.com/LucasBeerens/RECORD
Authors: Fahim Tajwar, Yiding Jiang, Abitha Thankaraj, Sumaita Sadia Rahman, J Zico Kolter, Jeff Schneider, Ruslan Salakhutdinov
Abstract: Efficient exploration is essential for intelligent systems interacting with their environment, but existing language models often fall short in scenarios that require strategic information gathering. In this paper, we present PAPRIKA, a fine-tuning approach that enables language models to develop general decision-making capabilities that are not confined to particular environments. By training on synthetic interaction data from different tasks that require diverse strategies, PAPRIKA teaches models to explore and adapt their behavior on a new task based on environment feedback in-context without more gradient updates. Experimental results show that models fine-tuned with PAPRIKA can effectively transfer their learned decision-making capabilities to entirely unseen tasks without additional training. Unlike traditional training, our approach's primary bottleneck lies in sampling useful interaction data instead of model updates. To improve sample efficiency, we propose a curriculum learning strategy that prioritizes sampling trajectories from tasks with high learning potential. These results suggest a promising path towards AI systems that can autonomously solve novel sequential decision-making problems that require interactions with the external world.
Authors: Jakub Binkowski, Denis Janiak, Albert Sawczyn, Bogdan Gabrys, Tomasz Kajdanowicz
Abstract: Large Language Models (LLMs) have demonstrated remarkable performance across various tasks but remain prone to hallucinations. Detecting hallucinations is essential for safety-critical applications, and recent methods leverage attention map properties to this end, though their effectiveness remains limited. In this work, we investigate the spectral features of attention maps by interpreting them as adjacency matrices of graph structures. We propose the $\text{LapEigvals}$ method, which utilises the top-$k$ eigenvalues of the Laplacian matrix derived from the attention maps as an input to hallucination detection probes. Empirical evaluations demonstrate that our approach achieves state-of-the-art hallucination detection performance among attention-based methods. Extensive ablation studies further highlight the robustness and generalisation of $\text{LapEigvals}$, paving the way for future advancements in the hallucination detection domain.
Authors: Dang Nguyen, Zeman Li, Mohammadhossein Bateni, Vahab Mirrokni, Meisam Razaviyayn, Baharan Mirzasoleiman
Abstract: Synthetic data has the potential to improve the performance, training efficiency, and privacy of real training examples. Nevertheless, existing approaches for synthetic text generation are mostly heuristics and cannot generate human-readable text without compromising the privacy of real data or provide performance guarantees for training Large Language Models (LLMs). In this work, we propose the first theoretically rigorous approach for generating synthetic human-readable text that guarantees the convergence and performance of LLMs during fine-tuning on a target task. To do so, we leverage Alternating Direction Method of Multipliers (ADMM) that iteratively optimizes the embeddings of synthetic examples to match the gradient of the target training or validation data, and maps them to a sequence of text tokens with low perplexity. In doing so, the generated synthetic text can guarantee convergence of the model to a close neighborhood of the solution obtained by fine-tuning on real data. Experiments on various classification tasks confirm the effectiveness of our proposed approach.
Authors: Stig Hellemans, Andres Algaba, Sam Verboven, Vincent Ginis
Abstract: Counterfactual explanations provide actionable insights to achieve desired outcomes by suggesting minimal changes to input features. However, existing methods rely on fixed sets of mutable features, which makes counterfactual explanations inflexible for users with heterogeneous real-world constraints. Here, we introduce Flexible Counterfactual Explanations, a framework incorporating counterfactual templates, which allows users to dynamically specify mutable features at inference time. In our implementation, we use Generative Adversarial Networks (FCEGAN), which align explanations with user-defined constraints without requiring model retraining or additional optimization. Furthermore, FCEGAN is designed for black-box scenarios, leveraging historical prediction datasets to generate explanations without direct access to model internals. Experiments across economic and healthcare datasets demonstrate that FCEGAN significantly improves counterfactual explanations' validity compared to traditional benchmark methods. By integrating user-driven flexibility and black-box compatibility, counterfactual templates support personalized explanations tailored to user constraints.
Authors: Shengbo Gong, Mohammad Hashemi, Juntong Ni, Carl Yang, Wei Jin
Abstract: Graph data has become a pivotal modality due to its unique ability to model relational datasets. However, real-world graph data continues to grow exponentially, resulting in a quadratic increase in the complexity of most graph algorithms as graph sizes expand. Although graph condensation (GC) methods have been proposed to address these scalability issues, existing approaches often treat the training set as static, overlooking the evolving nature of real-world graph data. This limitation leads to inefficiencies when condensing growing training sets. In this paper, we introduce GECC (Graph Evolving Clustering Condensation), a scalable graph condensation method designed to handle large-scale and evolving graph data. GECC employs a traceable and efficient approach by performing class-wise clustering on aggregated features. Furthermore, it can inherits previous condensation results as clustering centroids when the condensed graph expands, thereby attaining an evolving capability. This methodology is supported by robust theoretical foundations and demonstrates superior empirical performance. Comprehensive experiments show that GECC achieves better performance than most state-of-the-art graph condensation methods while delivering an around 1,000x speedup on large datasets.
Authors: Fangshuo Liao, Wenyi Su, Anastasios Kyrillidis
Abstract: We study a distributed Principal Component Analysis (PCA) framework where each worker targets a distinct eigenvector and refines its solution by updating from intermediate solutions provided by peers deemed as "superior". Drawing intuition from the deflation method in centralized eigenvalue problems, our approach breaks the sequential dependency in the deflation steps and allows asynchronous updates of workers, while incurring only a small communication cost. To our knowledge, a gap in the literature -- the theoretical underpinning of such distributed, dynamic interactions among workers -- has remained unaddressed. This paper offers a theoretical analysis explaining why, how, and when these intermediate, hierarchical updates lead to practical and provable convergence in distributed environments. Despite being a theoretical work, our prototype implementation demonstrates that such a distributed PCA algorithm converges effectively and in scalable way: through experiments, our proposed framework offers comparable performance to EigenGame-$\mu$, the state-of-the-art model-parallel PCA solver.
Authors: Sangwon Seo, Vaibhav Unhelkar
Abstract: Successful collaboration requires team members to stay aligned, especially in complex sequential tasks. Team members must dynamically coordinate which subtasks to perform and in what order. However, real-world constraints like partial observability and limited communication bandwidth often lead to suboptimal collaboration. Even among expert teams, the same task can be executed in multiple ways. To develop multi-agent systems and human-AI teams for such tasks, we are interested in data-driven learning of multimodal team behaviors. Multi-Agent Imitation Learning (MAIL) provides a promising framework for data-driven learning of team behavior from demonstrations, but existing methods struggle with heterogeneous demonstrations, as they assume that all demonstrations originate from a single team policy. Hence, in this work, we introduce DTIL: a hierarchical MAIL algorithm designed to learn multimodal team behaviors in complex sequential tasks. DTIL represents each team member with a hierarchical policy and learns these policies from heterogeneous team demonstrations in a factored manner. By employing a distribution-matching approach, DTIL mitigates compounding errors and scales effectively to long horizons and continuous state representations. Experimental results show that DTIL outperforms MAIL baselines and accurately models team behavior across a variety of collaborative scenarios.
Authors: Shinji Ito, Haipeng Luo, Taira Tsuchiya, Yue Wu
Abstract: No-regret self-play learning dynamics have become one of the premier ways to solve large-scale games in practice. Accelerating their convergence via improving the regret of the players over the naive $O(\sqrt{T})$ bound after $T$ rounds has been extensively studied in recent years, but almost all studies assume access to exact gradient feedback. We address the question of whether acceleration is possible under bandit feedback only and provide an affirmative answer for two-player zero-sum normal-form games. Specifically, we show that if both players apply the Tsallis-INF algorithm of Zimmert and Seldin (2018, arXiv:1807.07623), then their regret is at most $O(c_1 \log T + \sqrt{c_2 T})$, where $c_1$ and $c_2$ are game-dependent constants that characterize the difficulty of learning -- $c_1$ resembles the complexity of learning a stochastic multi-armed bandit instance and depends inversely on some gap measures, while $c_2$ can be much smaller than the number of actions when the Nash equilibria have a small support or are close to the boundary. In particular, for the case when a pure strategy Nash equilibrium exists, $c_2$ becomes zero, leading to an optimal instance-dependent regret bound as we show. We additionally prove that in this case, our algorithm also enjoys last-iterate convergence and can identify the pure strategy Nash equilibrium with near-optimal sample complexity.
Authors: Yiting Liu, Hai Zhou, Jia Wang, Fan Yang, Xuan Zeng, Li Shang
Abstract: Placement is a critical task with high computation complexity in VLSI physical design. Modern analytical placers formulate the placement objective as a nonlinear optimization task, which suffers a long iteration time. To accelerate and enhance the placement process, recent studies have turned to deep learning-based approaches, particularly leveraging graph convolution networks (GCNs). However, learning-based placers require time- and data-consuming model training due to the complexity of circuit placement that involves large-scale cells and design-specific graph statistics. This paper proposes GiFt, a parameter-free technique for accelerating placement, rooted in graph signal processing. GiFt excels at capturing multi-resolution smooth signals of circuit graphs to generate optimized placement solutions without the need for time-consuming model training, and meanwhile significantly reduces the number of iterations required by analytical placers. Experimental results show that GiFt significantly improving placement efficiency, while achieving competitive or superior performance compared to state-of-the-art placers. In particular, compared to DREAMPlace, the recently proposed GPU-accelerated analytical placer, GF-Placer improves total runtime over 45%.
Authors: Hiya Bhatt, Sahil, Karthik Vaidhyanathan, Rahul Biju, Deepak Gangadharan, Ramona Trestian, Purav Shah
Abstract: Modern transportation systems face growing challenges in managing traffic flow, ensuring safety, and maintaining operational efficiency amid dynamic traffic patterns. Addressing these challenges requires intelligent solutions capable of real-time monitoring, predictive analytics, and adaptive control. This paper proposes an architecture for DigIT, a Digital Twin (DT) platform for Intelligent Transportation Systems (ITS), designed to overcome the limitations of existing frameworks by offering a modular and scalable solution for traffic management. Built on a Domain Concept Model (DCM), the architecture systematically models key ITS components enabling seamless integration of predictive modeling and simulations. The architecture leverages machine learning models to forecast traffic patterns based on historical and real-time data. To adapt to evolving traffic patterns, the architecture incorporates adaptive Machine Learning Operations (MLOps), automating the deployment and lifecycle management of predictive models. Evaluation results highlight the effectiveness of the architecture in delivering accurate predictions and computational efficiency.
Authors: Denis Tarasov, Alexander Nikulin, Ilya Zisman, Albina Klepach, Andrei Polubarov, Nikita Lyubaykin, Alexander Derevyagin, Igor Kiselev, Vladislav Kurenkov
Abstract: In this work, we explore the integration of Reinforcement Learning (RL) approaches within a scalable offline In-Context RL (ICRL) framework. Through experiments across more than 150 datasets derived from GridWorld and MuJoCo environments, we demonstrate that optimizing RL objectives improves performance by approximately 40% on average compared to the widely established Algorithm Distillation (AD) baseline across various dataset coverages, structures, expertise levels, and environmental complexities. Our results also reveal that offline RL-based methods outperform online approaches, which are not specifically designed for offline scenarios. These findings underscore the importance of aligning the learning objectives with RL's reward-maximization goal and demonstrate that offline RL is a promising direction for application in ICRL settings.
Authors: Garrett Wilson, Geoffrey Goh, Yan Jiang, Ajay Gupta, Jiaxuan Wang, David Freeman, Francesco Dinuzzo
Abstract: Detecting phishing, spam, fake accounts, data scraping, and other malicious activity in online social networks (OSNs) is a problem that has been studied for well over a decade, with a number of important results. Nearly all existing works on abuse detection have as their goal producing the best possible binary classifier; i.e., one that labels unseen examples as "benign" or "malicious" with high precision and recall. However, no prior published work considers what comes next: what does the service actually do after it detects abuse? In this paper, we argue that detection as described in previous work is not the goal of those who are fighting OSN abuse. Rather, we believe the goal to be selecting actions (e.g., ban the user, block the request, show a CAPTCHA, or "collect more evidence") that optimize a tradeoff between harm caused by abuse and impact on benign users. With this framing, we see that enlarging the set of possible actions allows us to move the Pareto frontier in a way that is unattainable by simply tuning the threshold of a binary classifier. To demonstrate the potential of our approach, we present Predictive Response Optimization (PRO), a system based on reinforcement learning that utilizes available contextual information to predict future abuse and user-experience metrics conditioned on each possible action, and select actions that optimize a multi-dimensional tradeoff between abuse/harm and impact on user experience. We deployed versions of PRO targeted at stopping automated activity on Instagram and Facebook. In both cases our experiments showed that PRO outperforms a baseline classification system, reducing abuse volume by 59% and 4.5% (respectively) with no negative impact to users. We also present several case studies that demonstrate how PRO can quickly and automatically adapt to changes in business constraints, system behavior, and/or adversarial tactics.
Authors: Lei Zhao, Lin Cai, Wu-Sheng Lu
Abstract: In decentralized financial systems, robust and efficient Federated Learning (FL) is promising to handle diverse client environments and ensure resilience to systemic risks. We propose Federated Risk-Aware Learning with Central Sensitivity Estimation (FRAL-CSE), an innovative FL framework designed to enhance scalability, stability, and robustness in collaborative financial decision-making. The framework's core innovation lies in a central acceleration mechanism, guided by a quadratic sensitivity-based approximation of global model dynamics. By leveraging local sensitivity information derived from robust risk measurements, FRAL-CSE performs a curvature-informed global update that efficiently incorporates second-order information without requiring repeated local re-evaluations, thereby enhancing training efficiency and improving optimization stability. Additionally, distortion risk measures are embedded into the training objectives to capture tail risks and ensure robustness against extreme scenarios. Extensive experiments validate the effectiveness of FRAL-CSE in accelerating convergence and improving resilience across heterogeneous datasets compared to state-of-the-art baselines.
Authors: Obaid Ullah Ahmad, Anwar Said, Mudassir Shabbir, Xenofon Koutsoukos, Waseem Abbas
Abstract: This paper introduces a novel framework for graph sparsification that preserves the essential learning attributes of original graphs, improving computational efficiency and reducing complexity in learning algorithms. We refer to these sparse graphs as "learning backbones". Our approach leverages the zero-forcing (ZF) phenomenon, a dynamic process on graphs with applications in network control. The key idea is to generate a tree from the original graph that retains critical dynamical properties. By correlating these properties with learning attributes, we construct effective learning backbones. We evaluate the performance of our ZF-based backbones in graph classification tasks across eight datasets and six baseline models. The results demonstrate that our method outperforms existing techniques. Additionally, we explore extensions using node distance metrics to further enhance the framework's utility.
Authors: Xiangwen Wang, Yibo Jacky Zhang, Zhoujie Ding, Katherine Tsai, Sanmi Koyejo
Abstract: Compound AI systems, comprising multiple interacting components such as LLM agents and external tools, demonstrate state-of-the-art results across diverse tasks. It is hence crucial to align components within the system to produce consistent results that match human expectations. However, conventional alignment methods, such as Direct Preference Optimization (DPO), are not directly applicable to compound AI systems. These challenges include the non-differentiable interactions between components, making end-to-end gradient optimization infeasible. Additionally, system-level preferences cannot be directly translated into component-level preferences, further complicating alignment. We address the issues by formulating compound AI systems as Directed Acyclic Graphs (DAGs), capturing the connections between agents and the data generation processes. We propose a system-level DPO (SysDPO) to jointly align compound systems by adapting the DPO to operate on these DAGs. We study the joint alignment of an LLM and a diffusion model to demonstrate the effectiveness of our approach. Our exploration provides insights into the alignment of compound AI systems and lays a foundation for future advancements.
Authors: Ant\^onio Oliveira-Filho, Wellington Silva-de-Souza, Carlos Alberto Valderrama Sakuyama, Samuel Xavier-de-Souza
Abstract: This paper presents Phoeni6, a systematic approach for assessing the energy consumption of neural networks while upholding the principles of fair comparison and reproducibility. Phoeni6 offers a comprehensive solution for managing energy-related data and configurations, ensuring portability, transparency, and coordination during evaluations. The methodology automates energy evaluations through containerized tools, robust database management, and versatile data models. In the first case study, the energy consumption of AlexNet and MobileNet was compared using raw and resized images. Results showed that MobileNet is up to 6.25% more energy-efficient for raw images and 2.32% for resized datasets, while maintaining competitive accuracy levels. In the second study, the impact of image file formats on energy consumption was evaluated. BMP images reduced energy usage by up to 30% compared to PNG, highlighting the influence of file formats on energy efficiency. These findings emphasize the importance of Phoeni6 in optimizing energy consumption for diverse neural network applications and establishing sustainable artificial intelligence practices.
Authors: Tianyu Zhao, Mahmoud Srewa, Salma Elmalaki
Abstract: Ensuring fairness in machine learning, particularly in human-centric applications, extends beyond algorithmic bias to encompass fairness in privacy, specifically the equitable distribution of privacy risk. This is critical in federated learning (FL), where decentralized data necessitates balanced privacy preservation across clients. We introduce FinP, a framework designed to achieve fairness in privacy by mitigating disproportionate exposure to source inference attacks (SIA). FinP employs a dual approach: (1) server-side adaptive aggregation to address unfairness in client contributions in global model, and (2) client-side regularization to reduce client vulnerability. This comprehensive strategy targets both the symptoms and root causes of privacy unfairness. Evaluated on the Human Activity Recognition (HAR) and CIFAR-10 datasets, FinP demonstrates ~20% improvement in fairness in privacy on HAR with minimal impact on model utility, and effectively mitigates SIA risks on CIFAR-10, showcasing its ability to provide fairness in privacy in FL systems without compromising performance.
Authors: Tony Shaska
Abstract: This paper presents a novel framework for graded neural networks (GNNs) built over graded vector spaces $\V_\w^n$, extending classical neural architectures by incorporating algebraic grading. Leveraging a coordinate-wise grading structure with scalar action $\lambda \star \x = (\lambda^{q_i} x_i)$, defined by a tuple $\w = (q_0, \ldots, q_{n-1})$, we introduce graded neurons, layers, activation functions, and loss functions that adapt to feature significance. Theoretical properties of graded spaces are established, followed by a comprehensive GNN design, addressing computational challenges like numerical stability and gradient scaling. Potential applications span machine learning and photonic systems, exemplified by high-speed laser-based implementations. This work offers a foundational step toward graded computation, unifying mathematical rigor with practical potential, with avenues for future empirical and hardware exploration.
Authors: Lei Zhao, Lin Cai
Abstract: Deep hedging represents a cutting-edge approach to risk management for financial derivatives by leveraging the power of deep learning. However, existing methods often face challenges related to computational inefficiency, sensitivity to noisy data, and optimization complexity, limiting their practical applicability in dynamic and volatile markets. To address these limitations, we propose Deep Hedging with Linearized-objective Neural Network (DHLNN), a robust and generalizable framework that enhances the training procedure of deep learning models. By integrating a periodic fixed-gradient optimization method with linearized training dynamics, DHLNN stabilizes the training process, accelerates convergence, and improves robustness to noisy financial data. The framework incorporates trajectory-wide optimization and Black-Scholes Delta anchoring, ensuring alignment with established financial theory while maintaining flexibility to adapt to real-world market conditions. Extensive experiments on synthetic and real market data validate the effectiveness of DHLNN, demonstrating its ability to achieve faster convergence, improved stability, and superior hedging performance across diverse market scenarios.
Authors: Andrew Holliday
Abstract: This thesis concerns the use of reinforcement learning to train neural networks to aid in the design of public transit networks. The Transit Network Design Problem (TNDP) is an optimization problem of considerable practical importance. Given a city with an existing road network and travel demands, the goal is to find a set of transit routes - each of which is a path through the graph - that collectively satisfy all demands, while minimizing a cost function that may depend both on passenger satisfaction and operating costs. The existing literature on this problem mainly considers metaheuristic optimization algorithms, such as genetic algorithms and ant-colony optimization. By contrast, we begin by taking a reinforcement learning approach, formulating the construction of a set of transit routes as a Markov Decision Process (MDP) and training a neural net policy to act as the agent in this MDP. We then show that, beyond using this policy to plan a transit network directly, it can be combined with existing metaheuristic algorithms, both to initialize the solution and to suggest promising moves at each step of a search through solution space. We find that such hybrid algorithms, which use a neural policy trained via reinforcement learning as a core component within a classical metaheuristic framework, can plan transit networks that are superior to those planned by either the neural policy or the metaheuristic algorithm. We demonstrate the utility of our approach by using it to redesign the transit network for the city of Laval, Quebec, and show that in simulation, the resulting transit network provides better service at lower cost than the existing transit network.
Authors: Qile Jiang, Zhiwei Gao, George Em Karniadakis
Abstract: Large Language Models (LLMs) have emerged as powerful tools for tackling a wide range of problems, including those in scientific computing, particularly in solving partial differential equations (PDEs). However, different models exhibit distinct strengths and preferences, resulting in varying levels of performance. In this paper, we compare the capabilities of the most advanced LLMs--ChatGPT and DeepSeek--along with their reasoning-optimized versions in addressing computational challenges. Specifically, we evaluate their proficiency in solving traditional numerical problems in scientific computing as well as leveraging scientific machine learning techniques for PDE-based problems. We designed all our experiments so that a non-trivial decision is required, e.g. defining the proper space of input functions for neural operator learning. Our findings reveal that the latest model, ChatGPT o3-mini-high, usually delivers the most accurate results while also responding significantly faster than its reasoning counterpart, DeepSeek R1. This enhanced speed and accuracy make ChatGPT o3-mini-high a more practical and efficient choice for diverse computational tasks at this juncture.
Authors: Chris Dongjoo Kim, Sangwoo Moon, Jihwan Moon, Dongyeon Woo, Gunhee Kim
Abstract: As with many other problems, real-world regression is plagued by the presence of noisy labels, an inevitable issue that demands our attention. Fortunately, much real-world data often exhibits an intrinsic property of continuously ordered correlations between labels and features, where data points with similar labels are also represented with closely related features. In response, we propose a novel approach named ConFrag, where we collectively model the regression data by transforming them into disjoint yet contrasting fragmentation pairs. This enables the training of more distinctive representations, enhancing the ability to select clean samples. Our ConFrag framework leverages a mixture of neighboring fragments to discern noisy labels through neighborhood agreement among expert feature extractors. We extensively perform experiments on six newly curated benchmark datasets of diverse domains, including age prediction, price prediction, and music production year estimation. We also introduce a metric called Error Residual Ratio (ERR) to better account for varying degrees of label noise. Our approach consistently outperforms fourteen state-of-the-art baselines, being robust against symmetric and random Gaussian label noise.
Authors: Hao Liang, Wanrong Zhang, Xinlei He, Kaishun He, Hong Xing
Abstract: Differentially Private Stochastic Gradient Descent (DPSGD) is widely used to protect sensitive data during the training of machine learning models, but its privacy guarantees often come at the cost of model performance, largely due to the inherent challenge of accurately quantifying privacy loss. While recent efforts have strengthened privacy guarantees by focusing solely on the final output and bounded domain cases, they still impose restrictive assumptions, such as convexity and other parameter limitations, and often lack a thorough analysis of utility. In this paper, we provide rigorous privacy and utility characterization for DPSGD for smooth loss functions in both bounded and unbounded domains. We track the privacy loss over multiple iterations by exploiting the noisy smooth-reduction property and establish the utility analysis by leveraging the projection's non-expansiveness and clipped SGD properties. In particular, we show that for DPSGD with a bounded domain, (i) the privacy loss can still converge without the convexity assumption, and (ii) a smaller bounded diameter can improve both privacy and utility simultaneously under certain conditions. Numerical results validate our results.
Authors: Lei Zhao, Lin Cai, Wu-Sheng Lu
Abstract: In the field of financial derivatives trading, managing volatility risk is crucial for protecting investment portfolios from market changes. Traditional Vega hedging strategies, which often rely on basic and rule-based models, are hard to adapt well to rapidly changing market conditions. We introduce a new framework for dynamic Vega hedging, the Adaptive Nesterov Accelerated Distributional Deep Hedging (ANADDH), which combines distributional reinforcement learning with a tailored design based on adaptive Nesterov acceleration. This approach improves the learning process in complex financial environments by modeling the hedging efficiency distribution, providing a more accurate and responsive hedging strategy. The design of adaptive Nesterov acceleration refines gradient momentum adjustments, significantly enhancing the stability and speed of convergence of the model. Through empirical analysis and comparisons, our method demonstrates substantial performance gains over existing hedging techniques. Our results confirm that this innovative combination of distributional reinforcement learning with the proposed optimization techniques improves financial risk management and highlights the practical benefits of implementing advanced neural network architectures in the finance sector.
Authors: Haji Gul, Abdul Gani Haji Naim, Ajaz A. Bhat
Abstract: Drug-target interactions are critical for understanding biological processes and advancing drug discovery. However, traditional methods such as ComplEx-SE, TransE, and DistMult struggle with unseen relationships and negative triplets, which limits their effectiveness in drug-target prediction. To address these challenges, we propose Multi-Context-Aware Sampling (MuCoS), an efficient and positively accurate method for drug-target prediction. MuCoS reduces computational complexity by prioritizing neighbors of higher density to capture informative structural patterns. These optimized neighborhood representations are integrated with BERT, enabling contextualized embeddings for accurate prediction of missing relationships or tail entities. MuCoS avoids the need for negative triplet sampling, reducing computation while improving performance over unseen entities and relations. Experiments on the KEGG50k biomedical dataset show that MuCoS improved over existing models by 13\% on MRR, 7\% on Hits@1, 4\% on Hits@3, and 18\% on Hits@10 for the general relationship, and by 6\% on MRR, 1\% on Hits@1, 3\% on Hits@3, and 12\% on Hits@10 for prediction of drug-target relationship.
Authors: Afonso Louren\c{c}o, Jo\~ao Rodrigo, Jo\~ao Gama, Goreti Marreiros
Abstract: This literature review explores continual learning methods for on-device training in the context of neural networks (NNs) and decision trees (DTs) for classification tasks on smart environments. We highlight key constraints, such as data architecture (batch vs. stream) and network capacity (cloud vs. edge), which impact TinyML algorithm design, due to the uncontrolled natural arrival of data streams. The survey details the challenges of deploying deep learners on resource-constrained edge devices, including catastrophic forgetting, data inefficiency, and the difficulty of handling IoT tabular data in open-world settings. While decision trees are more memory-efficient for on-device training, they are limited in expressiveness, requiring dynamic adaptations, like pruning and meta-learning, to handle complex patterns and concept drifts. We emphasize the importance of multi-criteria performance evaluation tailored to edge applications, which assess both output-based and internal representation metrics. The key challenge lies in integrating these building blocks into autonomous online systems, taking into account stability-plasticity trade-offs, forward-backward transfer, and model convergence.
Authors: Zelin Tao, Hao Deng, Mingqing Liu, Lijun Zhang, Shengjie Zhao
Abstract: Online continual learning (OCL), which enables AI systems to adaptively learn from non-stationary data streams, is commonly achieved using experience replay (ER)-based methods that retain knowledge by replaying stored past during training. However, these methods face challenges of prediction bias, stemming from deviations in parameter update directions during task transitions. This paper identifies parameter variation imbalance as a critical factor contributing to prediction bias in ER-based OCL. Specifically, using the proposed parameter variation evaluation method, we highlight two types of imbalance: correlation-induced imbalance, where certain parameters are disproportionately updated across tasks, and layer-wise imbalance, where output layer parameters update faster than those in preceding layers. To mitigate the above imbalances, we propose the Parameter Variation Balancing Framework (PVBF), which incorporates: 1) a novel method to compute parameter correlations with previous tasks based on parameter variations, 2) an encourage-and-consolidate (E&C) method utilizing parameter correlations to perform gradient adjustments across all parameters during training, 3) a dual-layer copy weights with reinit (D-CWR) strategy to slowly update output layer parameters for frequently occuring sample categories. Experiments on short and long task sequences demonstrate that PVBF significantly reduces prediction bias and improves OCL performance, achieving up to 47\% higher accuracy compared to existing ER-based methods.
Authors: Jie Ren, Zhenwei Dai, Xianfeng Tang, Hui Liu, Jingying Zeng, Zhen Li, Rahul Goutam, Suhang Wang, Yue Xing, Qi He, Hui Liu
Abstract: Unlearning has been proposed to remove copyrighted and privacy-sensitive data from Large Language Models (LLMs). Existing approaches primarily rely on fine-tuning-based methods, which can be categorized into gradient ascent-based (GA-based) and suppression-based methods. However, they often degrade model utility (the ability to respond to normal prompts). In this work, we aim to develop a general framework that enhances the utility of fine-tuning-based unlearning methods. To achieve this goal, we first investigate the common property between GA-based and suppression-based methods. We unveil that GA-based methods unlearn by distinguishing the target data (i.e., the data to be removed) and suppressing related generations, which is essentially the same strategy employed by suppression-based methods. Inspired by this finding, we introduce Gated Representation UNlearning (GRUN) which has two components: a soft gate function for distinguishing target data and a suppression module using Representation Fine-tuning (ReFT) to adjust representations rather than model parameters. Experiments show that GRUN significantly improves the unlearning and utility. Meanwhile, it is general for fine-tuning-based methods, efficient and promising for sequential unlearning.
Authors: Hyeonjeong Ha, Qiusi Zhan, Jeonghwan Kim, Dimitrios Bralios, Saikrishna Sanniboina, Nanyun Peng, Kai-wei Chang, Daniel Kang, Heng Ji
Abstract: Multimodal large language models (MLLMs) equipped with Retrieval Augmented Generation (RAG) leverage both their rich parametric knowledge and the dynamic, external knowledge to excel in tasks such as Question Answering. While RAG enhances MLLMs by grounding responses in query-relevant external knowledge, this reliance poses a critical yet underexplored safety risk: knowledge poisoning attacks, where misinformation or irrelevant knowledge is intentionally injected into external knowledge bases to manipulate model outputs to be incorrect and even harmful. To expose such vulnerabilities in multimodal RAG, we propose MM-PoisonRAG, a novel knowledge poisoning attack framework with two attack strategies: Localized Poisoning Attack (LPA), which injects query-specific misinformation in both text and images for targeted manipulation, and Globalized Poisoning Attack (GPA) to provide false guidance during MLLM generation to elicit nonsensical responses across all queries. We evaluate our attacks across multiple tasks, models, and access settings, demonstrating that LPA successfully manipulates the MLLM to generate attacker-controlled answers, with a success rate of up to 56% on MultiModalQA. Moreover, GPA completely disrupts model generation to 0% accuracy with just a single irrelevant knowledge injection. Our results highlight the urgent need for robust defenses against knowledge poisoning to safeguard multimodal RAG frameworks.
Authors: Yu-Chieh Chao, Yubei Chen, Weiwei Wang, Achintha Wijesinghe, Suchinthaka Wanninayaka, Songyang Zhang, Zhi Ding
Abstract: Semantic communication marks a new paradigm shift from bit-wise data transmission to semantic information delivery for the purpose of bandwidth reduction. To more effectively carry out specialized downstream tasks at the receiver end, it is crucial to define the most critical semantic message in the data based on the task or goal-oriented features. In this work, we propose a novel goal-oriented communication (GO-COM) framework, namely Goal-Oriented Semantic Variational Autoencoder (GOS-VAE), by focusing on the extraction of the semantics vital to the downstream tasks. Specifically, we adopt a Vector Quantized Variational Autoencoder (VQ-VAE) to compress media data at the transmitter side. Instead of targeting the pixel-wise image data reconstruction, we measure the quality-of-service at the receiver end based on a pre-defined task-incentivized model. Moreover, to capture the relevant semantic features in the data reconstruction, imitation learning is adopted to measure the data regeneration quality in terms of goal-oriented semantics. Our experimental results demonstrate the power of imitation learning in characterizing goal-oriented semantics and bandwidth efficiency of our proposed GOS-VAE.
Authors: Benjamin C. Koenig, Suyong Kim, Sili Deng
Abstract: The recently proposed Kolmogorov-Arnold network (KAN) is a promising alternative to multi-layer perceptrons (MLPs) for data-driven modeling. While original KAN layers were only capable of representing the addition operator, the recently-proposed MultKAN layer combines addition and multiplication subnodes in an effort to improve representation performance. Here, we find that MultKAN layers suffer from a few key drawbacks including limited applicability in output layers, bulky parameterizations with extraneous activations, and the inclusion of complex hyperparameters. To address these issues, we propose LeanKANs, a direct and modular replacement for MultKAN and traditional AddKAN layers. LeanKANs address these three drawbacks of MultKAN through general applicability as output layers, significantly reduced parameter counts for a given network structure, and a smaller set of hyperparameters. As a one-to-one layer replacement for standard AddKAN and MultKAN layers, LeanKAN is able to provide these benefits to traditional KAN learning problems as well as augmented KAN structures in which it serves as the backbone, such as KAN Ordinary Differential Equations (KAN-ODEs) or Deep Operator KANs (DeepOKAN). We demonstrate LeanKAN's simplicity and efficiency in a series of demonstrations carried out across both a standard KAN toy problem and a KAN-ODE dynamical system modeling problem, where we find that its sparser parameterization and compact structure serve to increase its expressivity and learning capability, leading it to outperform similar and even much larger MultKANs in various tasks.
Authors: Roger Waleffe, Devesh Sarda, Jason Mohoney, Emmanouil-Vasileios Vlatakis-Gkaragkounis, Theodoros Rekatsinas, Shivaram Venkataraman
Abstract: We study distributed training of Graph Neural Networks (GNNs) on billion-scale graphs that are partitioned across machines. Efficient training in this setting relies on min-edge-cut partitioning algorithms, which minimize cross-machine communication due to GNN neighborhood sampling. Yet, min-edge-cut partitioning over large graphs remains a challenge: State-of-the-art (SoTA) offline methods (e.g., METIS) are effective, but they require orders of magnitude more memory and runtime than GNN training itself, while computationally efficient algorithms (e.g., streaming greedy approaches) suffer from increased edge cuts. Thus, in this work we introduce Armada, a new end-to-end system for distributed GNN training whose key contribution is GREM, a novel min-edge-cut partitioning algorithm that can efficiently scale to large graphs. GREM builds on streaming greedy approaches with one key addition: prior vertex assignments are continuously refined during streaming, rather than frozen after an initial greedy selection. Our theoretical analysis and experimental results show that this refinement is critical to minimizing edge cuts and enables GREM to reach partition quality comparable to METIS but with 8-65x less memory and 8-46x faster. Given a partitioned graph, Armada leverages a new disaggregated architecture for distributed GNN training to further improve efficiency; we find that on common cloud machines, even with zero communication, GNN neighborhood sampling and feature loading bottleneck training. Disaggregation allows Armada to independently allocate resources for these operations and ensure that expensive GPUs remain saturated with computation. We evaluate Armada against SoTA systems for distributed GNN training and find that the disaggregated architecture leads to runtime improvements up to 4.5x and cost reductions up to 3.1x.
Authors: Naveen Edapurath Vijayan
Abstract: This paper presents a novel data-driven approach to mitigating employee attrition using machine learning and data engineering techniques. The proposed framework integrates data from various human resources systems and leverages advanced feature engineering to capture a comprehensive set of factors influencing attrition. The study outlines a robust modeling approach that addresses challenges such as imbalanced datasets, categorical data handling, and model interpretation. The methodology includes careful consideration of training and testing strategies, baseline model establishment, and the development of calibrated predictive models. The research emphasizes the importance of model interpretation using techniques like SHAP values to provide actionable insights for organizations. Key design choices in algorithm selection, hyperparameter tuning, and probability calibration are discussed. This approach enables organizations to proactively identify attrition risks and develop targeted retention strategies, ultimately redu
Authors: Ziruo Zhao
Abstract: Contrastive learning has emerged as a powerful paradigm for self-supervised representation learning. This work analyzes the theoretical limits of contrastive learning under nasty noise, where an adversary modifies or replaces training samples. Using PAC learning and VC-dimension analysis, lower and upper bounds on sample complexity in adversarial settings are established. Additionally, data-dependent sample complexity bounds based on the l2-distance function are derived.
Authors: Jiazhen Hong, Geoffrey Mackellar, Soheila Ghane
Abstract: Deep learning has achieved significant progress in the development of electroencephalogram (EEG) foundation models, with Transformer-based architectures excelling at capturing long-range dependencies. However, their quadratic computational complexity presents challenges in memory efficiency, training, and inference speed, limiting their scalability and generalizability as a foundation model. In this paper, we propose EEGM2, a self-supervised framework based on structured state space duality (SSD) that overcomes these limitations. EEGM2 introduces three key innovations: (1) a reconstruction-based framework that captures both local and global EEG features through Mamba-2 structured state space models, (2) a spatiotemporal-aware loss function that enhances robustness to noise and preserves spectral information, and (3) a multi-branch receptive field input embedding strategy that improves cross-subject generalization and stability for EEG sequences of varying lengths. In comparison to traditional pretraining methods, on raw EEG or latent representation spaces, EEGM2 shows superior performance on long-sequence tasks, where conventional models struggle. Our experimental results on six EEG datasets validate that EEGM2 not only achieves state-of-the-art cross-domain accuracy but also reduces computational overhead, making it a more efficient solution for deployment on resource-constrained BCI devices.
Authors: Runzhong Wang, Rui-Xi Wang, Mrunali Manjrekar, Connor W. Coley
Abstract: Molecular machine learning has gained popularity with the advancements of geometric deep learning. In parallel, retrieval-augmented generation has become a principled approach commonly used with language models. However, the optimal integration of retrieval augmentation into molecular machine learning remains unclear. Graph neural networks stand to benefit from clever matching to understand the structural alignment of retrieved molecules to a query molecule. Neural graph matching offers a compelling solution by explicitly modeling node and edge affinities between two structural graphs while employing a noise-robust, end-to-end neural network to learn affinity metrics. We apply this approach to mass spectrum simulation and introduce MARASON, a novel model that incorporates neural graph matching to enhance a fragmentation-based neural network. Experimental results highlight the effectiveness of our design, with MARASON achieving 28% top-1 accuracy, a substantial improvement over the non-retrieval state-of-the-art accuracy of 19%. Moreover, MARASON outperforms both naive retrieval-augmented generation methods and traditional graph matching approaches.
Authors: Andrei Apostol, Maria Nutu
Abstract: In Romania, cardiovascular problems are the leading cause of death, accounting for nearly one-third of annual fatalities. The severity of this situation calls for innovative diagnosis method for cardiovascular diseases. This article aims to explore efficient, light-weight and rapid methods for arrhythmia diagnosis, in resource-constrained healthcare settings. Due to the lack of Romanian public medical data, we trained our systems using international public datasets, having in mind that the ECG signals are the same regardless the patients' nationality. Within this purpose, we combined multiple datasets, usually used in the field of arrhythmias classification: PTB-XL electrocardiography dataset , PTB Diagnostic ECG Database, China 12-Lead ECG Challenge Database, Georgia 12-Lead ECG Challenge Database, and St. Petersburg INCART 12-lead Arrhythmia Database. For the input data, we employed ECG signal processing methods, specifically a variant of the Pan-Tompkins algorithm, useful in arrhythmia classification because it provides a robust and efficient method for detecting QRS complexes in ECG signals. Additionally, we used machine learning techniques, widely used for the task of classification, including convolutional neural networks (1D CNNs, 2D CNNs, ResNet) and Vision Transformers (ViTs). The systems were evaluated in terms of accuracy and F1 score. We annalysed our dataset from two perspectives. First, we fed the systems with the ECG signals and the GRU-based 1D CNN model achieved the highest accuracy of 93.4% among all the tested architectures. Secondly, we transformed ECG signals into images and the CNN2D model achieved an accuracy of 92.16%.
Authors: Che Liu, Cheng Ouyang, Zhongwei Wan, Haozhe Wang, Wenjia Bai, Rossella Arcucci
Abstract: Recent advances in multimodal ECG representation learning center on aligning ECG signals with paired free-text reports. However, suboptimal alignment persists due to the complexity of medical language and the reliance on a full 12-lead setup, which is often unavailable in under-resourced settings. To tackle these issues, we propose **K-MERL**, a knowledge-enhanced multimodal ECG representation learning framework. **K-MERL** leverages large language models to extract structured knowledge from free-text reports and employs a lead-aware ECG encoder with dynamic lead masking to accommodate arbitrary lead inputs. Evaluations on six external ECG datasets show that **K-MERL** achieves state-of-the-art performance in zero-shot classification and linear probing tasks, while delivering an average **16%** AUC improvement over existing methods in partial-lead zero-shot classification.
Authors: Yuhan Chen, Yihong Luo, Yifan Song, Pengwen Dai, Jing Tang, Xiaochun Cao
Abstract: Despite extensive research efforts focused on OOD detection on images, OOD detection on nodes in graph learning remains underexplored. The dependence among graph nodes hinders the trivial adaptation of existing approaches on images that assume inputs to be i.i.d. sampled, since many unique features and challenges specific to graphs are not considered, such as the heterophily issue. Recently, GNNSafe, which considers node dependence, adapted energy-based detection to the graph domain with state-of-the-art performance, however, it has two serious issues: 1) it derives node energy from classification logits without specifically tailored training for modeling data distribution, making it less effective at recognizing OOD data; 2) it highly relies on energy propagation, which is based on homophily assumption and will cause significant performance degradation on heterophilic graphs, where the node tends to have dissimilar distribution with its neighbors. To address the above issues, we suggest training EBMs by MLE to enhance data distribution modeling and remove energy propagation to overcome the heterophily issues. However, training EBMs via MLE requires performing MCMC sampling on both node feature and node neighbors, which is challenging due to the node interdependence and discrete graph topology. To tackle the sampling challenge, we introduce DeGEM, which decomposes the learning process into two parts: a graph encoder that leverages topology information for node representations and an energy head that operates in latent space. Extensive experiments validate that DeGEM, without OOD exposure during training, surpasses previous state-of-the-art methods, achieving an average AUROC improvement of 6.71% on homophilic graphs and 20.29% on heterophilic graphs, and even outperform methods trained with OOD exposure. Our code is available at: https://github.com/draym28/DeGEM.
Authors: Joris Dannemann, Gero Junike
Abstract: Batch normalization is one of the most important regularization techniques for neural networks, significantly improving training by centering the layers of the neural network. There have been several attempts to provide a theoretical justification for batch ormalization. Santurkar and Tsipras (2018) [How does batch normalization help optimization? Advances in neural information rocessing systems, 31] claim that batch normalization improves initialization. We provide a counterexample showing that this claim s not true, i.e., batch normalization does not improve initialization.
Authors: Vishal Nedungadi, Muhammad Akhtar Munir, Marc Ru{\ss}wurm, Ron Sarafian, Ioannis N. Athanasiadis, Yinon Rudich, Fahad Shahbaz Khan, Salman Khan
Abstract: Air pollution remains a leading global health risk, exacerbated by rapid industrialization and urbanization, contributing significantly to morbidity and mortality rates. In this paper, we introduce AirCast, a novel multi-variable air pollution forecasting model, by combining weather and air quality variables. AirCast employs a multi-task head architecture that simultaneously forecasts atmospheric conditions and pollutant concentrations, improving its understanding of how weather patterns affect air quality. Predicting extreme pollution events is challenging due to their rare occurrence in historic data, resulting in a heavy-tailed distribution of pollution levels. To address this, we propose a novel Frequency-weighted Mean Absolute Error (fMAE) loss, adapted from the class-balanced loss for regression tasks. Informed from domain knowledge, we investigate the selection of key variables known to influence pollution levels. Additionally, we align existing weather and chemical datasets across spatial and temporal dimensions. AirCast's integrated approach, combining multi-task learning, frequency weighted loss and domain informed variable selection, enables more accurate pollution forecasts. Our source code and models are made public here (https://github.com/vishalned/AirCast.git)
Authors: Xin Zhang, Liang Bai, Xian Yang, Jiye Liang
Abstract: Low-Rank Adaptation (LoRA) is an efficient fine-tuning method that has been extensively applied in areas such as natural language processing and computer vision. Existing LoRA fine-tuning approaches excel in static environments but struggle in dynamic learning due to reliance on multiple adapter modules, increasing overhead and complicating inference. We propose Continual Low-Rank Adaptation (C-LoRA), a novel extension of LoRA for continual learning. C-LoRA uses a learnable routing matrix to dynamically manage parameter updates across tasks, ensuring efficient reuse of learned subspaces while enforcing orthogonality to minimize interference and forgetting. Unlike existing approaches that require separate adapters for each task, C-LoRA enables a integrated approach for task adaptation, achieving both scalability and parameter efficiency in sequential learning scenarios. C-LoRA achieves state-of-the-art accuracy and parameter efficiency on benchmarks while providing theoretical insights into its routing matrix's role in retaining and transferring knowledge, establishing a scalable framework for continual learning.
Authors: Atsuki Yokota, Ichiro Kawashima, Yohei Saito, Hakaru Tamukoh, Osamu Nomura, Takashi Morie
Abstract: Reservoir Computing (RC) is a bio-inspired machine learning framework, and various models have been proposed. RC is a well-suited model for time series data processing, but there is a trade-off between memory capacity and nonlinearity. In this study, we propose methods to improve the memory capacity of reservoir models by modifying their network configuration except for the inside of reservoirs. The Delay method retains past inputs by adding delay node chains to the input layer with the specified number of delay steps. To suppress the effect of input value increase due to the Delay method, we divide the input weights by the number of added delay steps. The Pass through method feeds input values directly to the output layer. The Clustering method divides the input and reservoir nodes into multiple parts and integrates them at the output layer. We applied these methods to an echo state network (ESN), a typical RC model, and the chaotic Boltzmann machine (CBM)-RC, which can be efficiently implemented in integrated circuits. We evaluated their performance on the NARMA task, and measured information processing capacity (IPC) to evaluate the trade-off between memory capacity and nonlinearity.
Authors: Sonalika Subudhi, Alok Kumar Pati, Sephali Bose, Subhasmita Sahoo, Avipsa Pattanaik, Biswa Mohan Acharya
Abstract: Groundwater is eventually undermined by human exercises, such as fast industrialization, urbanization, over-extraction, and contamination from agrarian and urban sources. From among the different contaminants, the presence of heavy metals like cadmium (Cd), chromium (Cr), arsenic (As), and lead (Pb) proves to have serious dangers when present in huge concentrations in groundwater. Long-term usage of these poisonous components may lead to neurological disorders, kidney failure and different sorts of cancer. To address these issues, this study developed a machine learning-based predictive model to evaluate the Groundwater Quality Index (GWQI) and identify the main contaminants which are affecting the water quality. It has been achieved with the help of a hybrid machine learning model i.e. LCBoost Fusion . The model has undergone several processes like data preprocessing, hyperparameter tuning using Differential Evolution (DE) optimization, and evaluation through cross-validation. The LCBoost Fusion model outperforms individual models (CatBoost and LightGBM), by achieving low RMSE (0.6829), MSE (0.5102), MAE (0.3147) and a high R$^2$ score of 0.9809. Feature importance analysis highlights Potassium (K), Fluoride (F) and Total Hardness (TH) as the most influential indicators of groundwater contamination. This research successfully demonstrates the application of machine learning in assessing groundwater quality risks in Odisha. The proposed LCBoost Fusion model offers a reliable and efficient approach for real-time groundwater monitoring and risk mitigation. These findings will help the environmental organizations and the policy makers to map out targeted places for sustainable groundwater management. Future work will focus on using remote sensing data and developing an interactive decision-making system for groundwater quality assessment.
Authors: Felix Arnold, Maxence Bouvier, Ryan Amaudruz, Renzo Andri, Lukas Cavigelli
Abstract: This work introduces an innovative method for improving combinational digital circuits through random exploration in MIG-based synthesis. High-quality circuits are crucial for performance, power, and cost, making this a critical area of active research. Our approach incorporates next-state prediction and iterative selection, significantly accelerating the synthesis process. This novel method achieves up to 14x synthesis speedup and up to 20.94% better MIG minimization on the EPFL Combinational Benchmark Suite compared to state-of-the-art techniques. We further explore various predictor models and show that increased prediction accuracy does not guarantee an equivalent increase in synthesis quality of results or speedup, observing that randomness remains a desirable factor.
Authors: Tianmi Ma, Jiawei Du, Wenxin Huang, Wenjie Wang, Liang Xie, Xian Zhong, Joey Tianyi Zhou
Abstract: Recent advancements in large language models (LLMs) have significantly improved performance in natural language processing tasks. However, their ability to generalize to dynamic, unseen tasks, particularly in numerical reasoning, remains a challenge. Existing benchmarks mainly evaluate LLMs on problems with predefined optimal solutions, which may not align with real-world scenarios where clear answers are absent. To bridge this gap, we design the Agent Trading Arena, a virtual numerical game simulating complex economic systems through zero-sum games, where agents invest in stock portfolios. Our experiments reveal that LLMs, including GPT-4o, struggle with algebraic reasoning when dealing with plain-text stock data, often focusing on local details rather than global trends. In contrast, LLMs perform significantly better with geometric reasoning when presented with visual data, such as scatter plots or K-line charts, suggesting that visual representations enhance numerical reasoning. This capability is further improved by incorporating the reflection module, which aids in the analysis and interpretation of complex data. We validate our findings on NASDAQ Stock dataset, where LLMs demonstrate stronger reasoning with visual data compared to text. Our code and data are publicly available at https://github.com/wekjsdvnm/Agent-Trading-Arena.git.
Authors: Guang Lin, Duc Thien Nguyen, Zerui Tao, Konstantinos Slavakis, Toshihisa Tanaka, Qibin Zhao
Abstract: Deep neural networks are known to be vulnerable to well-designed adversarial attacks. Although numerous defense strategies have been proposed, many are tailored to the specific attacks or tasks and often fail to generalize across diverse scenarios. In this paper, we propose Tensor Network Purification (TNP), a novel model-free adversarial purification method by a specially designed tensor network decomposition algorithm. TNP depends neither on the pre-trained generative model nor the specific dataset, resulting in strong robustness across diverse adversarial scenarios. To this end, the key challenge lies in relaxing Gaussian-noise assumptions of classical decompositions and accommodating the unknown distribution of adversarial perturbations. Unlike the low-rank representation of classical decompositions, TNP aims to reconstruct the unobserved clean examples from an adversarial example. Specifically, TNP leverages progressive downsampling and introduces a novel adversarial optimization objective to address the challenge of minimizing reconstruction error but without inadvertently restoring adversarial perturbations. Extensive experiments conducted on CIFAR-10, CIFAR-100, and ImageNet demonstrate that our method generalizes effectively across various norm threats, attack types, and tasks, providing a versatile and promising adversarial purification technique.
Authors: Shuheng Chen, Junyi Fan, Elham Pishgar, Kamiar Alaei, Greg Placencia, Maryam Pishgar
Abstract: Background: Sepsis-Associated Acute Kidney Injury (SA-AKI) leads to high mortality in intensive care. This study develops machine learning models using the Medical Information Mart for Intensive Care IV (MIMIC-IV) database to predict Intensive Care Unit (ICU) mortality in SA-AKI patients. External validation is conducted using the eICU Collaborative Research Database. Methods: For 9,474 identified SA-AKI patients in MIMIC-IV, key features like lab results, vital signs, and comorbidities were selected using Variance Inflation Factor (VIF), Recursive Feature Elimination (RFE), and expert input, narrowing to 24 predictive variables. An Extreme Gradient Boosting (XGBoost) model was built for in-hospital mortality prediction, with hyperparameters optimized using GridSearch. Model interpretability was enhanced with SHapley Additive exPlanations (SHAP) and Local Interpretable Model-agnostic Explanations (LIME). External validation was conducted using the eICU database. Results: The proposed XGBoost model achieved an internal Area Under the Receiver Operating Characteristic curve (AUROC) of 0.878 (95% Confidence Interval: 0.859-0.897). SHAP identified Sequential Organ Failure Assessment (SOFA), serum lactate, and respiratory rate as key mortality predictors. LIME highlighted serum lactate, Acute Physiology and Chronic Health Evaluation II (APACHE II) score, total urine output, and serum calcium as critical features. Conclusions: The integration of advanced techniques with the XGBoost algorithm yielded a highly accurate and interpretable model for predicting SA-AKI mortality across diverse populations. It supports early identification of high-risk patients, enhancing clinical decision-making in intensive care. Future work needs to focus on enhancing adaptability, versatility, and real-world applications.
Authors: Zhenyu Tao, Wei Xu, Xiaohu You
Abstract: Digital twin (DT)-driven deep reinforcement learning (DRL) has emerged as a promising paradigm for wireless network optimization, offering safe and efficient training environment for policy exploration. However, in theory existing methods cannot always guarantee real-world performance of DT-trained policies before actual deployment, due to the absence of a universal metric for assessing DT's ability to support reliable DRL training transferrable to physical networks. In this paper, we propose the DT bisimulation metric (DT-BSM), a novel metric based on the Wasserstein distance, to quantify the discrepancy between Markov decision processes (MDPs) in both the DT and the corresponding real-world wireless network environment. We prove that for any DT-trained policy, the sub-optimality of its performance (regret) in the real-world deployment is bounded by a weighted sum of the DT-BSM and its sub-optimality within the MDP in the DT. Then, a modified DT-BSM based on the total variation distance is also introduced to avoid the prohibitive calculation complexity of Wasserstein distance for large-scale wireless network scenarios. Further, to tackle the challenge of obtaining accurate transition probabilities of the MDP in real world for the DT-BSM calculation, we propose an empirical DT-BSM method based on statistical sampling. We prove that the empirical DT-BSM always converges to the desired theoretical one, and quantitatively establish the relationship between the required sample size and the target level of approximation accuracy. Numerical experiments validate this first theoretical finding on the provable and calculable performance bounds for DT-driven DRL.
Authors: Keivan Shariatmadar, Neil Yorke-Smith, Ahmad Osman, Fabio Cuzzolin, Hans Hallez, David Moens
Abstract: Decision Focused Learning has emerged as a critical paradigm for integrating machine learning with downstream optimisation. Despite its promise, existing methodologies predominantly rely on probabilistic models and focus narrowly on task objectives, overlooking the nuanced challenges posed by epistemic uncertainty, non-probabilistic modelling approaches, and the integration of uncertainty into optimisation constraints. This paper bridges these gaps by introducing innovative frameworks: (i) a non-probabilistic lens for epistemic uncertainty representation, leveraging intervals (the least informative uncertainty model), Contamination (hybrid model), and probability boxes (the most informative uncertainty model); (ii) methodologies to incorporate uncertainty into constraints, expanding Decision-Focused Learning's utility in constrained environments; (iii) the adoption of Imprecise Decision Theory for ambiguity-rich decision-making contexts; and (iv) strategies for addressing sparse data challenges. Empirical evaluations on benchmark optimisation problems demonstrate the efficacy of these approaches in improving decision quality and robustness and dealing with said gaps.
Authors: Nikolai Rekut, Alexey Orlov, Klea Ziu, Elizaveta Starykh, Martin Takac, Aleksandr Beznosikov
Abstract: In recent years, machine learning has profoundly reshaped the field of chemistry, facilitating significant advancements across various applications, including the prediction of molecular properties and the generation of molecular structures. Language models and graph-based models are extensively utilized within this domain, consistently achieving state-of-the-art results across an array of tasks. However, the prevailing practice of representing chemical compounds in the SMILES format -- used by most datasets and many language models -- presents notable limitations as a training data format. In contrast, chemical fingerprints offer a more physically informed representation of compounds, thereby enhancing their suitability for model training. This study aims to develop a language model that is specifically trained on fingerprints. Furthermore, we introduce a bimodal architecture that integrates this language model with a graph model. Our proposed methodology synthesizes these approaches, utilizing RoBERTa as the language model and employing Graph Isomorphism Networks (GIN), Graph Convolutional Networks (GCN) and Graphormer as graph models. This integration results in a significant improvement in predictive performance compared to conventional strategies for tasks such as Quantitative Structure-Activity Relationship (QSAR) and the prediction of nuclear magnetic resonance (NMR) spectra, among others.
Authors: Nour Makke, Sanjay Chawla
Abstract: Machine learning is rapidly making its pathway across all of the natural sciences, including physical sciences. The rate at which ML is impacting non-scientific disciplines is incomparable to that in the physical sciences. This is partly due to the uninterpretable nature of deep neural networks. Symbolic machine learning stands as an equal and complementary partner to numerical machine learning in speeding up scientific discovery in physics. This perspective discusses the main differences between the ML and scientific approaches. It stresses the need to develop and apply symbolic machine learning to physics problems equally, in parallel to numerical machine learning, because of the dual nature of physics research.
Authors: Shlok Mehendale, Aditya Challa, Rahul Yedida, Sravan Danda, Santonu Sarkar, Snehanshu Saha
Abstract: Which principle underpins the design of an effective anomaly detection loss function? The answer lies in the concept of \rnthm{} theorem, a fundamental concept in measure theory. The key insight is -- Multiplying the vanilla loss function with the \rnthm{} derivative improves the performance across the board. We refer to this as RN-Loss. This is established using PAC learnability of anomaly detection. We further show that the \rnthm{} derivative offers important insights into unsupervised clustering based anomaly detections as well. We evaluate our algorithm on 96 datasets, including univariate and multivariate data from diverse domains, including healthcare, cybersecurity, and finance. We show that RN-Derivative algorithms outperform state-of-the-art methods on 68\% of Multivariate datasets (based on F-1 scores) and also achieves peak F1-scores on 72\% of time series (Univariate) datasets.
Authors: Sifal Klioui, Sana Sellami, Youssef Trardi
Abstract: Predicting disease trajectories from electronic health records (EHRs) is a complex task due to major challenges such as data non-stationarity, high granularity of medical codes, and integration of multimodal data. EHRs contain both structured data, such as diagnostic codes, and unstructured data, such as clinical notes, which hold essential information often overlooked. Current models, primarily based on structured data, struggle to capture the complete medical context of patients, resulting in a loss of valuable information. To address this issue, we propose an approach that integrates unstructured clinical notes into transformer-based deep learning models for sequential disease prediction. This integration enriches the representation of patients' medical histories, thereby improving the accuracy of diagnosis predictions. Experiments on MIMIC-IV datasets demonstrate that the proposed approach outperforms traditional models relying solely on structured data.
Authors: Rikuto Kotoge, Ziwei Yang, Zheng Chen, Yushun Dong, Yasuko Matsubara, Jimeng Sun, Yasushi Sakurai
Abstract: Biological knowledge bases provide systemically functional pathways of cells or organisms in terms of molecular interaction. However, recognizing more targeted pathways, particularly when incorporating wet-lab experimental data, remains challenging and typically requires downstream biological analyses and expertise. In this paper, we frame this challenge as a solvable graph learning and explaining task and propose a novel pathway inference framework, ExPath, that explicitly integrates experimental data, specifically amino acid sequences (AA-seqs), to classify various graphs (bio-networks) in biological databases. The links (representing pathways) that contribute more to classification can be considered as targeted pathways. Technically, ExPath comprises three components: (1) a large protein language model (pLM) that encodes and embeds AA-seqs into graph, overcoming traditional obstacles in processing AA-seq data, such as BLAST; (2) PathMamba, a hybrid architecture combining graph neural networks (GNNs) with state-space sequence modeling (Mamba) to capture both local interactions and global pathway-level dependencies; and (3) PathExplainer, a subgraph learning module that identifies functionally critical nodes and edges through trainable pathway masks. We also propose ML-oriented biological evaluations and a new metric. The experiments involving 301 bio-networks evaluations demonstrate that pathways inferred by ExPath maintain biological meaningfulness. We will publicly release curated 301 bio-network data soon.
Authors: Ra\'ul Parada, Ebrahim Abu-Helalah, Jordi Serra, Anton Aguilar, Paolo Dini
Abstract: The increasing complexity and dynamic nature of 5G open radio access networks (O-RAN) pose significant challenges to maintaining low latency, high throughput, and resource efficiency. While existing methods leverage machine learning for latency prediction and resource management, they often lack real-world scalability and hardware validation. This paper addresses these limitations by presenting an artificial intelligence-driven latency forecasting system integrated into a functional O-RAN prototype. The system uses a bidirectional long short-term memory model to predict latency in real time within a scalable, open-source framework built with FlexRIC. Experimental results demonstrate the model's efficacy, achieving a loss metric below 0.04, thus validating its applicability in dynamic 5G environments.
Authors: Ohad Einav, Nir Rosenfeld
Abstract: Machine learning models play a key role for service providers looking to gain market share in consumer markets. However, traditional learning approaches do not take into account the existence of additional providers, who compete with each other for consumers. Our work aims to study learning in this market setting, as it affects providers, consumers, and the market itself. We begin by analyzing such markets through the lens of the learning objective, and show that accuracy cannot be the only consideration. We then propose a method for classification under competition, so that a learner can maximize market share in the presence of competitors. We show that our approach benefits the providers as well as the consumers, and find that the timing of market entry and model updates can be crucial. We display the effectiveness of our approach across a range of domains, from simple distributions to noisy datasets, and show that the market as a whole remains stable by converging quickly to an equilibrium.
Authors: Yifeng Wang, Yi Zhao
Abstract: Low-cost accelerometers play a crucial role in modern society due to their advantages of small size, ease of integration, wearability, and mass production, making them widely applicable in automotive systems, aerospace, and wearable technology. However, this widely used sensor suffers from severe accuracy and range limitations. To this end, we propose a honed-energy regularized and optimal supervised GAN (HEROS-GAN), which transforms low-cost sensor signals into high-cost equivalents, thereby overcoming the precision and range limitations of low-cost accelerometers. Due to the lack of frame-level paired low-cost and high-cost signals for training, we propose an Optimal Transport Supervision (OTS), which leverages optimal transport theory to explore potential consistency between unpaired data, thereby maximizing supervisory information. Moreover, we propose a Modulated Laplace Energy (MLE), which injects appropriate energy into the generator to encourage it to break range limitations, enhance local changes, and enrich signal details. Given the absence of a dedicated dataset, we specifically establish a Low-cost Accelerometer Signal Enhancement Dataset (LASED) containing tens of thousands of samples, which is the first dataset serving to improve the accuracy and range of accelerometers and is released in Github. Experimental results demonstrate that a GAN combined with either OTS or MLE alone can surpass the previous signal enhancement SOTA methods by an order of magnitude. Integrating both OTS and MLE, the HEROS-GAN achieves remarkable results, which doubles the accelerometer range while reducing signal noise by two orders of magnitude, establishing a benchmark in the accelerometer signal processing.
Authors: Samuele Sabella, Chiara Boldrini, Lorenzo Valerio, Andrea Passarella, Marco Conti
Abstract: Decentralized federated learning (DFL) enables devices to collaboratively train models over complex network topologies without relying on a central controller. In this setting, local data remains private, but its quality and quantity can vary significantly across nodes. The extent to which a fully decentralized system is vulnerable to poor-quality or corrupted data remains unclear, but several factors could contribute to potential risks. Without a central authority, there can be no unified mechanism to detect or correct errors, and each node operates with a localized view of the data distribution, making it difficult for the node to assess whether its perspective aligns with the true distribution. Moreover, models trained on low-quality data can propagate through the network, amplifying errors. To explore the impact of low-quality data on DFL, we simulate two scenarios with degraded data quality -- one where the corrupted data is evenly distributed in a subset of nodes and one where it is concentrated on a single node -- using a decentralized implementation of FedAvg. Our results reveal that averaging-based decentralized learning is remarkably robust to localized bad data, even when the corrupted data resides in the most influential nodes of the network. Counterintuitively, this robustness is further enhanced when the corrupted data is concentrated on a single node, regardless of its centrality in the communication network topology. This phenomenon is explained by the averaging process, which ensures that no single node -- however central -- can disproportionately influence the overall learning process.
Authors: Xu Chu, Zhixin Zhang, Tianyu Jia, Yujie Jin
Abstract: Aligning language models with human preferences is critical for real-world deployment, but existing methods often require large amounts of high-quality human annotations. Aiming at a data-efficient alignment method, we propose Stackelberg Game Preference Optimization (SGPO), a framework that models alignment as a two-player Stackelberg game, where a policy (leader) optimizes against a worst-case preference distribution (follower) within an $\epsilon$-Wasserstein ball, ensuring robustness to (self-)annotation noise and distribution shifts. SGPO guarantees $O(\epsilon)$-bounded regret, unlike Direct Preference Optimization (DPO), which suffers from linear regret growth in the distribution mismatch. We instantiate SGPO with the Stackelberg Self-Annotated Preference Optimization (SSAPO) algorithm, which iteratively self-annotates preferences and adversarially reweights synthetic annotated preferences. Using only 2K seed preferences, from the UltraFeedback dataset, i.e., 1/30 of human labels in the dataset, our method achieves 35.82% GPT-4 win-rate with Mistral-7B and 40.12% with Llama3-8B-Instruct within three rounds of SSAPO.
Authors: B. Sun, P. Li\`o
Abstract: In this study, we propose MHEX+, a framework adaptable to any U-Net architecture. Built upon MHEX+, we introduce novel U-Net variants, EU-Nets, which enhance explainability and uncertainty estimation, addressing the limitations of traditional U-Net models while improving performance and stability. A key innovation is the Equivalent Convolutional Kernel, which unifies consecutive convolutional layers, boosting interpretability. For uncertainty estimation, we propose the collaboration gradient approach, measuring gradient consistency across decoder layers. Notably, EU-Nets achieve an average accuracy improvement of 1.389\% and a variance reduction of 0.83\% across all networks and datasets in our experiments, requiring fewer than 0.1M parameters.
Authors: Jintao Zhang, Chendong Xiang, Haofeng Huang, Jia Wei, Haocheng Xi, Jun Zhu, Jianfei Chen
Abstract: An efficient attention implementation is essential for large models due to its quadratic time complexity. Fortunately, attention commonly exhibits sparsity, i.e., many values in the attention map are near zero, allowing for the omission of corresponding computations. Many studies have utilized the sparse pattern to accelerate attention. However, most existing works focus on optimizing attention within specific models by exploiting certain sparse patterns of the attention map. A universal sparse attention that guarantees both the speedup and end-to-end performance of diverse models remains elusive. In this paper, we propose SpargeAttn, a universal sparse and quantized attention for any model. Our method uses a two-stage online filter: in the first stage, we rapidly and accurately predict the attention map, enabling the skip of some matrix multiplications in attention. In the second stage, we design an online softmax-aware filter that incurs no extra overhead and further skips some matrix multiplications. Experiments show that our method significantly accelerates diverse models, including language, image, and video generation, without sacrificing end-to-end metrics. The codes are available at https://github.com/thu-ml/SpargeAttn.
Authors: Catherine F. Higham, Paul Henderson, Roderick Murray-Smith
Abstract: Measurement of a physical quantity such as light intensity is an integral part of many reconstruction and decision scenarios but can be costly in terms of acquisition time, invasion of or damage to the environment and storage. Data minimisation and compliance with data protection laws is also an important consideration. Where there are a range of measurements that can be made, some may be more informative and compliant with the overall measurement objective than others. We develop an active sequential inference algorithm that uses the low dimensional representational latent space from a variational autoencoder (VAE) to choose which measurement to make next. Our aim is to recover high dimensional data by making as few measurements as possible. We adapt the VAE encoder to map partial data measurements on to the latent space of the complete data. The algorithm draws samples from this latent space and uses the VAE decoder to generate data conditional on the partial measurements. Estimated measurements are made on the generated data and fed back through the partial VAE encoder to the latent space where they can be evaluated prior to making a measurement. Starting from no measurements and a normal prior on the latent space, we consider alternative strategies for choosing the next measurement and updating the predictive posterior prior for the next step. The algorithm is illustrated using the Fashion MNIST dataset and a novel convolutional Hadamard pattern measurement basis. We see that useful patterns are chosen within 10 steps, leading to the convergence of the guiding generative images. Compared with using stochastic variational inference to infer the parameters of the posterior distribution for each generated data point individually, the partial VAE framework can efficiently process batches of generated data and obtains superior results with minimal measurements.
Authors: Lucy Farnik, Tim Lawson, Conor Houghton, Laurence Aitchison
Abstract: Sparse autoencoders (SAEs) have been successfully used to discover sparse and human-interpretable representations of the latent activations of LLMs. However, we would ultimately like to understand the computations performed by LLMs and not just their representations. The extent to which SAEs can help us understand computations is unclear because they are not designed to "sparsify" computations in any sense, only latent activations. To solve this, we propose Jacobian SAEs (JSAEs), which yield not only sparsity in the input and output activations of a given model component but also sparsity in the computation (formally, the Jacobian) connecting them. With a na\"ive implementation, the Jacobians in LLMs would be computationally intractable due to their size. One key technical contribution is thus finding an efficient way of computing Jacobians in this setup. We find that JSAEs extract a relatively large degree of computational sparsity while preserving downstream LLM performance approximately as well as traditional SAEs. We also show that Jacobians are a reasonable proxy for computational sparsity because MLPs are approximately linear when rewritten in the JSAE basis. Lastly, we show that JSAEs achieve a greater degree of computational sparsity on pre-trained LLMs than on the equivalent randomized LLM. This shows that the sparsity of the computational graph appears to be a property that LLMs learn through training, and suggests that JSAEs might be more suitable for understanding learned transformer computations than standard SAEs.
Authors: Dahun Shin, Dongyeop Lee, Jinseok Chung, Namhoon Lee
Abstract: Approximate second-order optimization methods often exhibit poorer generalization compared to first-order approaches. In this work, we look into this issue through the lens of the loss landscape and find that existing second-order methods tend to converge to sharper minima compared to SGD. In response, we propose Sassha, a novel second-order method designed to enhance generalization by explicitly reducing sharpness of the solution, while stabilizing the computation of approximate Hessians along the optimization trajectory. In fact, this sharpness minimization scheme is crafted also to accommodate lazy Hessian updates, so as to secure efficiency besides flatness. To validate its effectiveness, we conduct a wide range of standard deep learning experiments where Sassha demonstrates its outstanding generalization performance that is comparable to, and mostly better than, other methods. We provide a comprehensive set of analyses including convergence, robustness, stability, efficiency, and cost.
Authors: Xiao Shao, Guoqiang Wu
Abstract: In multi-task learning (MTL) with each task involving graph-dependent data, generalization results of existing theoretical analyses yield a sub-optimal risk bound of $O(\frac{1}{\sqrt{n}})$, where $n$ is the number of training samples.This is attributed to the lack of a foundational sharper concentration inequality for multi-graph dependent random variables. To fill this gap, this paper proposes a new corresponding Bennett inequality, enabling the derivation of a sharper risk bound of $O(\frac{\log n}{n})$. Specifically, building on the proposed Bennett inequality, we propose a new corresponding Talagrand inequality for the empirical process and further develop an analytical framework of the local Rademacher complexity to enhance theoretical generalization analyses in MTL with multi-graph dependent data. Finally, we apply the theoretical advancements to applications such as Macro-AUC Optimization, demonstrating the superiority of our theoretical results over previous work, which is also corroborated by experimental results.
Authors: Guanzi Chen, Jiying Zhang, Yang Li
Abstract: Cross-graph node classification, utilizing the abundant labeled nodes from one graph to help classify unlabeled nodes in another graph, can be viewed as a domain generalization problem of graph neural networks (GNNs) due to the structure shift commonly appearing among various graphs. Nevertheless, current endeavors for cross-graph node classification mainly focus on model training. Data augmentation approaches, a simple and easy-to-implement domain generalization technique, remain under-explored. In this paper, we develop a new graph structure augmentation for the crossgraph domain generalization problem. Specifically, low-weight edgedropping is applied to remove potential noise edges that may hinder the generalization ability of GNNs, stimulating the GNNs to capture the essential invariant information underlying different structures. Meanwhile, clustering-based edge-adding is proposed to generate invariant structures based on the node features from the same distribution. Consequently, with these augmentation techniques, the GNNs can maintain the domain invariant structure information that can improve the generalization ability. The experiments on out-ofdistribution citation network datasets verify our method achieves state-of-the-art performance among conventional augmentations.
Authors: Gianluigi Silvestri, Luca Ambrogioni, Chieh-Hsin Lai, Yuhta Takida, Yuki Mitsufuji
Abstract: Consistency Training (CT) has recently emerged as a promising alternative to diffusion models, achieving competitive performance in image generation tasks. However, non-distillation consistency training often suffers from high variance and instability, and analyzing and improving its training dynamics is an active area of research. In this work, we propose a novel CT training approach based on the Flow Matching framework. Our main contribution is a trained noise-coupling scheme inspired by the architecture of Variational Autoencoders (VAE). By training a data-dependent noise emission model implemented as an encoder architecture, our method can indirectly learn the geometry of the noise-to-data mapping, which is instead fixed by the choice of the forward process in classical CT. Empirical results across diverse image datasets show significant generative improvements, with our model outperforming baselines and achieving the state-of-the-art (SoTA) non-distillation CT FID on CIFAR-10, and attaining FID on par with SoTA on ImageNet at $64 \times 64$ resolution in 2-step generation. Our code is available at https://github.com/sony/vct .
Authors: Atik Faysal, Mohammad Rostami, Taha Boushine, Reihaneh Gh. Roshan, Huaxia Wang, Nikhil Muralidhar
Abstract: We introduce DenoMAE2.0, an enhanced denoising masked autoencoder that integrates a local patch classification objective alongside traditional reconstruction loss to improve representation learning and robustness. Unlike conventional Masked Autoencoders (MAE), which focus solely on reconstructing missing inputs, DenoMAE2.0 introduces position-aware classification of unmasked patches, enabling the model to capture fine-grained local features while maintaining global coherence. This dual-objective approach is particularly beneficial in semi-supervised learning for wireless communication, where high noise levels and data scarcity pose significant challenges. We conduct extensive experiments on modulation signal classification across a wide range of signal-to-noise ratios (SNRs), from extremely low to moderately high conditions and in a low data regime. Our results demonstrate that DenoMAE2.0 surpasses its predecessor, Deno-MAE, and other baselines in both denoising quality and downstream classification accuracy. DenoMAE2.0 achieves a 1.1% improvement over DenoMAE on our dataset and 11.83%, 16.55% significant improved accuracy gains on the RadioML benchmark, over DenoMAE, for constellation diagram classification of modulation signals.
Authors: Mykola Kozlenko, Olena Zamikhovska, Leonid Zamikhovskyi
Abstract: In recent years, more and more attention has been paid to the use of artificial neural networks (ANN) for diagnostics of gas pumping units (GPU). Usually, ANN training is carried out on models of GPU workflows, and generated sets of diagnostic data are used to simulate defect conditions. At the same time, the results obtained do not allow assessing the real state of the GPU. It is proposed to use the values of the characteristics of the acoustic and vibration processes of the GPU as the input data of the ANN. A descriptive statistical analysis of real vibration and acoustic processes generated by the operation of the GPU type GTK-25-i (Nuovo Pignone, Italy) has been carried out. The formation of packets of diagnostic signs arriving at the input of the ANN has been carried out. The diagnostic features are the five maximum amplitude components of the acoustic and vibration signals, as well as the value of the standard deviation for each sample. Diagnostic signs are calculated directly in the input pipeline of ANN data in real time for three technical states of the GPU. Using the frameworks TensorFlow, Keras, NumPy, pandas, in the Python 3 programming language, an architecture was developed for a deep fully connected feedforward ANN, training on the error backpropagation algorithm. The results of training and testing of the developed ANN are presented. During testing, it was found that the signal classification precision for the "nominal" state of all 1475 signal samples is 1.0000, for the "current" state, precision equils 0.9853, and for the "defective" state, precision is 0.9091. The use of the developed ANN makes it possible to classify the technical states of the GPU with an accuracy sufficient for practical use, which will prevent the occurrence of GPU failures. ANN can be used to diagnose GPU of any type and power.
Authors: Mihaela C\u{a}t\u{a}lina Stoian, Eleonora Giunchiglia
Abstract: Synthetic tabular data generation has traditionally been a challenging problem due to the high complexity of the underlying distributions that characterise this type of data. Despite recent advances in deep generative models (DGMs), existing methods often fail to produce realistic datapoints that are well-aligned with available background knowledge. In this paper, we address this limitation by introducing Disjunctive Refinement Layer (DRL), a novel layer designed to enforce the alignment of generated data with the background knowledge specified in user-defined constraints. DRL is the first method able to automatically make deep learning models inherently compliant with constraints as expressive as quantifier-free linear formulas, which can define non-convex and even disconnected spaces. Our experimental analysis shows that DRL not only guarantees constraint satisfaction but also improves efficacy in downstream tasks. Notably, when applied to DGMs that frequently violate constraints, DRL eliminates violations entirely. Further, it improves performance metrics by up to 21.4% in F1-score and 20.9% in Area Under the ROC Curve, thus demonstrating its practical impact on data generation.
Authors: Jiarun Fu, Lizhong Ding, Hao Li, Pengqi Li, Qiuning Wei, Xu Chen
Abstract: Although Chain-of-Thought (CoT) has achieved remarkable success in enhancing the reasoning ability of large language models (LLMs), the mechanism of CoT remains a ``black box''. Even if the correct answers can frequently be obtained, existing CoTs struggle to make the reasoning understandable to human. In this paper, we unveil and causalize CoT from a causal perspective to ensure both correctness and understandability of all reasoning steps (to the best of our knowledge, the first such). We model causality of CoT via structural causal models (SCM) to unveil the reasoning mechanism of CoT. To measure the causality of CoT, we define the CoT Average Causal Effect (CACE) to test the causal relations between steps. For those steps without causality (wrong or unintelligible steps), we design a role-playing causal query algorithm to causalize these steps, resulting a causalized CoT with all steps correct and understandable. Experimental results on both open-source and closed-source LLMs demonstrate that the causal errors commonly in steps are effectively corrected and the reasoning ability of LLMs is significantly improved.
Authors: Saurabh Jha, Ameet Rahane, Laura Shwartz, Marc Palaci-Olgun, Frank Bagehorn, Jesus Rios, Dan Stingaciu, Ragu Kattinakere, Debasish Banerjee
Abstract: Modern applications are built as large, distributed systems spanning numerous modules, teams, and data centers. Despite robust engineering and recovery strategies, failures and performance issues remain inevitable, risking significant disruptions and affecting end users. Rapid and accurate root cause identification is therefore vital to ensure system reliability and maintain key service metrics. We have developed a novel causality-based Root Cause Identification (RCI) algorithm that emphasizes causation over correlation. This algorithm has been integrated into IBM Instana-bridging research to practice at scale-and is now in production use by enterprise customers. By leveraging "causal AI," Instana stands apart from typical Application Performance Management (APM) tools, pinpointing issues in near real-time. This paper highlights Instana's advanced failure diagnosis capabilities, discussing both the theoretical underpinnings and practical implementations of the RCI algorithm. Real-world examples illustrate how our causality-based approach enhances reliability and performance in today's complex system landscapes.
Authors: Mitchell Plyler, Min Chi
Abstract: Counterfactual data augmentation (CDA) is a method for controlling information or biases in training datasets by generating a complementary dataset with typically opposing biases. Prior work often either relies on hand-crafted rules or algorithmic CDA methods which can leave unwanted information in the augmented dataset. In this work, we show iterative CDA (ICDA) with initial, high-noise interventions can converge to a state with significantly lower noise. Our ICDA procedure produces a dataset where one target signal in the training dataset maintains high mutual information with a corresponding label and the information of spurious signals are reduced. We show training on the augmented datasets produces rationales on documents that better align with human annotation. Our experiments include six human produced datasets and two large-language model generated datasets.
Authors: Taneesh Gupta, Rahul Madhavan, Xuchao Zhang, Chetan Bansal, Saravan Rajmohan
Abstract: Multi-preference optimization enriches language-model alignment beyond pairwise preferences by contrasting entire sets of helpful and undesired responses, thereby enabling richer training signals for large language models. During self-play alignment, these models often produce numerous candidate answers per query, rendering it computationally infeasible to include all responses in the training objective. In this work, we propose $\textit{Active Multi-Preference Optimization}$ (AMPO), a novel approach that combines on-policy generation, a multi-preference group-contrastive loss, and active subset selection. Specifically, we score and embed large candidate pools of responses and then select a small, yet informative, subset that covers reward extremes and distinct semantic clusters for preference optimization. Our contrastive training scheme is capable of identifying not only the best and worst answers but also subtle, underexplored modes that are crucial for robust alignment. Theoretically, we provide guarantees for expected reward maximization using our active selection method, and empirically, AMPO achieves state-of-the-art results on $\textit{AlpacaEval}$ using Llama 8B.
Authors: Zeju Li, Changran Xu, Zhengyuan Shi, Zedong Peng, Yi Liu, Yunhao Zhou, Lingfeng Zhou, Chengyu Ma, Jianyuan Zhong, Xi Wang, Jieru Zhao, Zhufei Chu, Xiaoyan Yang, Qiang Xu
Abstract: This paper introduces DeepCircuitX, a comprehensive repository-level dataset designed to advance RTL (Register Transfer Level) code understanding, generation, and power-performance-area (PPA) analysis. Unlike existing datasets that are limited to either file-level RTL code or physical layout data, DeepCircuitX provides a holistic, multilevel resource that spans repository, file, module, and block-level RTL code. This structure enables more nuanced training and evaluation of large language models (LLMs) for RTL-specific tasks. DeepCircuitX is enriched with Chain of Thought (CoT) annotations, offering detailed descriptions of functionality and structure at multiple levels. These annotations enhance its utility for a wide range of tasks, including RTL code understanding, generation, and completion. Additionally, the dataset includes synthesized netlists and PPA metrics, facilitating early-stage design exploration and enabling accurate PPA prediction directly from RTL code. We demonstrate the dataset's effectiveness on various LLMs finetuned with our dataset and confirm the quality with human evaluations. Our results highlight DeepCircuitX as a critical resource for advancing RTL-focused machine learning applications in hardware design automation.Our data is available at https://zeju.gitbook.io/lcm-team.
Authors: Wenlong Chen, Bolian Li, Ruqi Zhang, Yingzhen Li
Abstract: This review paper is intended for the 2nd edition of the Handbook of Markov chain Monte Carlo.We provide an introduction to approximate inference techniques as Bayesian computation methods applied to deep learning models. We organize the chapter by presenting popular computational methods for (1) Bayesian neural networks and (2) deep generative models, explaining their unique challenges in posterior inference as well as the solutions.
Authors: Shuyi Chen, Ferdinando Fioretto, Feng Qiu, Shixiang Zhu
Abstract: Extreme hazard events such as wildfires and hurricanes increasingly threaten power systems, causing widespread outages and disrupting critical services. Recently, predict-then-optimize approaches have gained traction in grid operations, where system functionality forecasts are first generated and then used as inputs for downstream decision-making. However, this two-stage method often results in a misalignment between prediction and optimization objectives, leading to suboptimal resource allocation. To address this, we propose predict-all-then-optimize-globally (PATOG), a framework that integrates outage prediction with globally optimized interventions. At its core, our global-decision-focused (GDF) neural ODE model captures outage dynamics while optimizing resilience strategies in a decision-aware manner. Unlike conventional methods, our approach ensures spatially and temporally coherent decision-making, improving both predictive accuracy and operational efficiency. Experiments on synthetic and real-world datasets demonstrate significant improvements in outage prediction consistency and grid resilience.
Authors: Mohamed Aboelenien Ahmed, Kilian Pfeiffer, Heba Khdr, Osama Abboud, Ramin Khalili, J\"org Henkel
Abstract: Training on edge devices poses several challenges as these devices are generally resource-constrained, especially in terms of power. State-of-the-art techniques at the device level reduce the GPU frequency to enforce power constraints, leading to a significant increase in training time. To accelerate training, we propose to jointly adjust the system and application parameters (in our case, the GPU frequency and the batch size of the training task) while adhering to the power constraints on devices. We introduce a novel cross-layer methodology that combines predictions of batch size efficiency and device profiling to achieve the desired optimization. Our evaluation on real hardware shows that our method outperforms the current baselines that depend on state of the art techniques, reducing the training time by $2.4\times$ with results very close to optimal. Our measurements also indicate a substantial reduction in the overall energy used for the training process. These gains are achieved without reduction in the performance of the trained model.
Authors: Thadd\"aus Wiedemer, Yash Sharma, Ameya Prabhu, Matthias Bethge, Wieland Brendel
Abstract: We investigate the success conditions for compositional generalization of CLIP models on real-world data through performance prediction. Prior work shows that CLIP requires exponentially more pretraining data for linear performance gains on individual concepts. This sample-inefficient scaling could be mitigated if CLIP systematically understood new inputs as compositions of learned components, allowing rare observation to be mapped to common concepts. To explore CLIP's compositional generalization ability, we filter retrieval corpora for samples with object combinations not present in the pretraining corpus. We show that CLIP's performance on these samples can be accurately predicted from the pretraining frequencies of individual objects. Our findings demonstrate that CLIP learns to disentangle objects observed in its pretraining data and can recompose them straightforwardly. Additionally, we are the first to show how this ability scales with pretraining data. For data curation in practice, our results suggest that balancing object occurrences improves generalization, which should benefit CLIP's efficiency and accuracy without scaling data volume.
Authors: Hans Hao-Hsun Hsu, Shikun Liu, Han Zhao, Pan Li
Abstract: Graph-based learning has achieved remarkable success in domains ranging from recommendation to fraud detection and particle physics by effectively capturing underlying interaction patterns. However, it often struggles to generalize when distribution shifts occur, particularly those involving changes in network connectivity or interaction patterns. Existing approaches designed to mitigate such shifts typically require retraining with full access to source data, rendering them infeasible under strict computational or privacy constraints. To address this limitation, we propose a test-time structural alignment (TSA) algorithm for Graph Test-Time Adaptation (GTTA), a novel method that aligns graph structures during inference without revisiting the source domain. Built upon a theoretically grounded treatment of graph data distribution shifts, TSA integrates three key strategies: an uncertainty-aware neighborhood weighting that accommodates structure shifts, an adaptive balancing of self-node and neighborhood-aggregated representations driven by node representations' signal-to-noise ratio, and a decision boundary refinement that corrects remaining label and feature shifts. Extensive experiments on synthetic and real-world datasets demonstrate that TSA can consistently outperform both non-graph TTA methods and state-of-the-art GTTA baselines.
Authors: George Thomas, Alex J. Chan, Jikun Kang, Wenqi Wu, Filippos Christianos, Fraser Greenlee, Andy Toulis, Marvin Purtorab
Abstract: We introduce WebGames, a comprehensive benchmark suite designed to evaluate general-purpose web-browsing AI agents through a collection of 50+ interactive challenges. These challenges are specifically crafted to be straightforward for humans while systematically testing the limitations of current AI systems across fundamental browser interactions, advanced input processing, cognitive tasks, workflow automation, and interactive entertainment. Our framework eliminates external dependencies through a hermetic testing environment, ensuring reproducible evaluation with verifiable ground-truth solutions. We evaluate leading vision-language models including GPT-4o, Claude Computer-Use, Gemini-1.5-Pro, and Qwen2-VL against human performance. Results reveal a substantial capability gap, with the best AI system achieving only 43.1% success rate compared to human performance of 95.7%, highlighting fundamental limitations in current AI systems' ability to handle common web interaction patterns that humans find intuitive. The benchmark is publicly available at webgames.convergence.ai, offering a lightweight, client-side implementation that facilitates rapid evaluation cycles. Through its modular architecture and standardized challenge specifications, WebGames provides a robust foundation for measuring progress in development of more capable web-browsing agents.
Authors: Adeel Pervez, Efstratios Gavves, Francesco Locatello
Abstract: We present Mechanistic PDE Networks -- a model for discovery of governing partial differential equations from data. Mechanistic PDE Networks represent spatiotemporal data as space-time dependent linear partial differential equations in neural network hidden representations. The represented PDEs are then solved and decoded for specific tasks. The learned PDE representations naturally express the spatiotemporal dynamics in data in neural network hidden space, enabling increased power for dynamical modeling. Solving the PDE representations in a compute and memory-efficient way, however, is a significant challenge. We develop a native, GPU-capable, parallel, sparse, and differentiable multigrid solver specialized for linear partial differential equations that acts as a module in Mechanistic PDE Networks. Leveraging the PDE solver, we propose a discovery architecture that can discover nonlinear PDEs in complex settings while also being robust to noise. We validate PDE discovery on a number of PDEs, including reaction-diffusion and Navier-Stokes equations.
Authors: Jacob Fein-Ashley
Abstract: Conventional self-attention mechanisms incur quadratic complexity, limiting their scalability on long sequences. We introduce FFTNet, an adaptive spectral filtering framework that leverages the Fast Fourier Transform (FFT) to achieve global token mixing in $\mathcal{O}(n\log n)$ time. By transforming inputs into the frequency domain, FFTNet exploits the orthogonality and energy preservation guaranteed by Parseval's theorem to capture long-range dependencies efficiently. A learnable spectral filter and modReLU activation dynamically emphasize salient frequency components, providing a rigorous and adaptive alternative to traditional self-attention. Experiments on the Long Range Arena and ImageNet benchmarks validate our theoretical insights and demonstrate superior performance over fixed Fourier and standard attention models.
Authors: Monireh Safari, Pablo Millan Arias, Scott C. Lowe, Lila Kari, Angel X. Chang, Graham W. Taylor
Abstract: Masked language modelling (MLM) as a pretraining objective has been widely adopted in genomic sequence modelling. While pretrained models can successfully serve as encoders for various downstream tasks, the distribution shift between pretraining and inference detrimentally impacts performance, as the pretraining task is to map [MASK] tokens to predictions, yet the [MASK] is absent during downstream applications. This means the encoder does not prioritize its encodings of non-[MASK] tokens, and expends parameters and compute on work only relevant to the MLM task, despite this being irrelevant at deployment time. In this work, we propose a modified encoder-decoder architecture based on the masked autoencoder framework, designed to address this inefficiency within a BERT-based transformer. We empirically show that the resulting mismatch is particularly detrimental in genomic pipelines where models are often used for feature extraction without fine-tuning. We evaluate our approach on the BIOSCAN-5M dataset, comprising over 2 million unique DNA barcodes. We achieve substantial performance gains in both closed-world and open-world classification tasks when compared against causal models and bidirectional architectures pretrained with MLM tasks.
Authors: Young-Chae Hong, Bei Xiao, Yangho Chen
Abstract: Time series forecasting has long been a focus of research across diverse fields, including economics, energy, healthcare, and traffic management. Recent works have introduced innovative architectures for time series models, such as the Time-Series Mixer (TSMixer), which leverages multi-layer perceptrons (MLPs) to enhance prediction accuracy by effectively capturing both spatial and temporal dependencies within the data. In this paper, we investigate the capabilities of the Kolmogorov-Arnold Networks (KANs) for time-series forecasting by modifying TSMixer with a KAN layer (TSKANMixer). Experimental results demonstrate that TSKANMixer tends to improve prediction accuracy over the original TSMixer across multiple datasets, ranking among the top-performing models compared to other time series approaches. Our results show that the KANs are promising alternatives to improve the performance of time series forecasting by replacing or extending traditional MLPs.
Authors: Paula Santos
Abstract: This study presents a comparative evaluation of a Variational Autoencoder (VAE) enhanced with Minimum Description Length (MDL) regularization against a Standard Autoencoder for reconstructing high-dimensional gynecological data. The MDL-VAE exhibits significantly lower reconstruction errors (MSE, MAE, RMSE) and more structured latent representations, driven by effective KL divergence regularization. Statistical analyses confirm these performance improvements are significant. Furthermore, the MDL-VAE shows consistent training and validation losses and achieves efficient inference times, underscoring its robustness and practical viability. Our findings suggest that incorporating MDL principles into VAE architectures can substantially improve data reconstruction and generalization, making it a promising approach for advanced applications in healthcare data modeling and analysis.
Authors: Will Schwarzer, Jordan Schneider, Philip S. Thomas, Scott Niekum
Abstract: Existing approaches to reward inference from behavior typically assume that humans provide demonstrations according to specific models of behavior. However, humans often indicate their goals through a wide range of behaviors, from actions that are suboptimal due to poor planning or execution to behaviors which are intended to communicate goals rather than achieve them. We propose that supervised learning offers a unified framework to infer reward functions from any class of behavior, and show that such an approach is asymptotically Bayes-optimal under mild assumptions. Experiments on simulated robotic manipulation tasks show that our method can efficiently infer rewards from a wide variety of arbitrarily suboptimal demonstrations.
Authors: Charlie B. Tan, Avishek Joey Bose, Chen Lin, Leon Klein, Michael M. Bronstein, Alexander Tong
Abstract: Scalable sampling of molecular states in thermodynamic equilibrium is a long-standing challenge in statistical physics. Boltzmann generators tackle this problem by pairing powerful normalizing flows with importance sampling to obtain statistically independent samples under the target distribution. In this paper, we extend the Boltzmann generator framework and introduce Sequential Boltzmann generators (SBG) with two key improvements. The first is a highly efficient non-equivariant Transformer-based normalizing flow operating directly on all-atom Cartesian coordinates. In contrast to equivariant continuous flows of prior methods, we leverage exactly invertible non-equivariant architectures which are highly efficient both during sample generation and likelihood computation. As a result, this unlocks more sophisticated inference strategies beyond standard importance sampling. More precisely, as a second key improvement we perform inference-time scaling of flow samples using annealed Langevin dynamics which transports samples toward the target distribution leading to lower variance (annealed) importance weights which enable higher fidelity resampling with sequential Monte Carlo. SBG achieves state-of-the-art performance w.r.t. all metrics on molecular systems, demonstrating the first equilibrium sampling in Cartesian coordinates of tri, tetra, and hexapeptides that were so far intractable for prior Boltzmann generators.
Authors: Renato Purita Paes Leme, Cliff Stein, Yifeng Teng, Pratik Worah
Abstract: We design efficient approximation algorithms for maximizing the expectation of the supremum of families of Gaussian random variables. In particular, let $\mathrm{OPT}:=\max_{\sigma_1,\cdots,\sigma_n}\mathbb{E}\left[\sum_{j=1}^{m}\max_{i\in S_j} X_i\right]$, where $X_i$ are Gaussian, $S_j\subset[n]$ and $\sum_i\sigma_i^2=1$, then our theoretical results include: - We characterize the optimal variance allocation -- it concentrates on a small subset of variables as $|S_j|$ increases, - A polynomial time approximation scheme (PTAS) for computing $\mathrm{OPT}$ when $m=1$, and - An $O(\log n)$ approximation algorithm for computing $\mathrm{OPT}$ for general $m>1$. Such expectation maximization problems occur in diverse applications, ranging from utility maximization in auctions markets to learning mixture models in quantitative genetics.
Authors: Haris Riaz, Razvan-Gabriel Dumitru, Mihai Surdeanu
Abstract: In this work, we revisit the problem of semi-supervised named entity recognition (NER) focusing on extremely light supervision, consisting of a lexicon containing only 10 examples per class. We introduce ELLEN, a simple, fully modular, neuro-symbolic method that blends fine-tuned language models with linguistic rules. These rules include insights such as ''One Sense Per Discourse'', using a Masked Language Model as an unsupervised NER, leveraging part-of-speech tags to identify and eliminate unlabeled entities as false negatives, and other intuitions about classifier confidence scores in local and global context. ELLEN achieves very strong performance on the CoNLL-2003 dataset when using the minimal supervision from the lexicon above. It also outperforms most existing (and considerably more complex) semi-supervised NER methods under the same supervision settings commonly used in the literature (i.e., 5% of the training data). Further, we evaluate our CoNLL-2003 model in a zero-shot scenario on WNUT-17 where we find that it outperforms GPT-3.5 and achieves comparable performance to GPT-4. In a zero-shot setting, ELLEN also achieves over 75% of the performance of a strong, fully supervised model trained on gold data. Our code is available at: https://github.com/hriaz17/ELLEN.
Authors: Ken Ueno, Makoto Kogo, Hiromi Kawatsu, Yohsuke Uchiumi, Michiaki Tatsubori
Abstract: AI-agility, with which an organization can be quickly adapted to its business priorities, is desired even for the development and operations of generative AI (GenAI) applications. Especially in this paper, we discuss so-called GenAI Model-agility, which we define as the readiness to be flexibly adapted to base foundation models as diverse as the model providers and versions. First, for handling issues specific to generative AI, we first define a methodology of GenAI application development and operations, as GenAIOps, to identify the problem of application quality degradation caused by changes to the underlying foundation models. We study prompt tuning technologies, which look promising to address this problem, and discuss their effectiveness and limitations through case studies using existing tools.
Authors: Wuyang Zhang, Yansong Li, Zeyu Dong, Yu Wu, Yingyao Zhou, Duolei Wang, Songsirou Xing, Chichun Zhou, Da Shen
Abstract: Large Language Models (LLMs) have helped programmers increase efficiency through code generation, comprehension, and repair. However, their application to large-scale projects remains challenging due to complex interdependencies and the extensive size of modern codebases. Although Knuth's concept of Literate Programming (LP) combines code and natural language to convey logic and intent, its potential for enhancing relationships in large projects has not been fully explored. In this study, we introduce the idea of Interoperable LP (ILP), which leverages literate programming principles to enhance the development of both small-scale documents and large-scale projects with LLMs. We investigate how LLMs perform under ILP-style instructions for both document-oriented tasks and entire projects. Recognizing that many researchers rely on well-structured templates to guide LLMs, we propose a concise prompt engineering method to write LP documents so LLMs can better be involved in code generation. We also examine the capacity of various LLMs to generate Scheme and Python code on the RepoBench benchmark, illustrating the advantages of our approach. Our findings indicate that ILP with LLMs can enhance LLM-based code generation in large-scale project development.
Authors: Xiaolin Li, Binhua Huang, Barry Cardiff, Deepu John
Abstract: DCentNet is a novel decentralized multistage signal classification approach designed for biomedical data from IoT wearable sensors, integrating early exit points (EEP) to enhance energy efficiency and processing speed. Unlike traditional centralized processing methods, which result in high energy consumption and latency, DCentNet partitions a single CNN model into multiple sub-networks using EEPs. By introducing encoder-decoder pairs at EEPs, the system compresses large feature maps before transmission, significantly reducing wireless data transfer and power usage. If an input is confidently classified at an EEP, processing stops early, optimizing efficiency. Initial sub-networks can be deployed on fog or edge devices to further minimize energy consumption. A genetic algorithm is used to optimize EEP placement, balancing performance and complexity. Experimental results on ECG classification show that with one EEP, DCentNet reduces wireless data transmission by 94.54% and complexity by 21%, while maintaining original accuracy and sensitivity. With two EEPs, sensitivity reaches 98.36%, accuracy 97.74%, wireless data transmission decreases by 91.86%, and complexity is reduced by 22%. Implemented on an ARM Cortex-M4 MCU, DCentNet achieves an average power saving of 73.6% compared to continuous wireless ECG transmission.
Authors: Ding Hu, Pengxiang Hua, Zhen Huang
Abstract: The development of artificial intelligence (AI) techniques has brought revolutionary changes across various realms. In particular, the use of AI-assisted methods to accelerate chemical research has become a popular and rapidly growing trend, leading to numerous groundbreaking works. In this paper, we provide a comprehensive review of current AI techniques in chemistry from a computational perspective, considering various aspects in the design of methods. We begin by discussing the characteristics of data from diverse sources, followed by an overview of various representation methods. Next, we review existing models for several topical tasks in the field, and conclude by highlighting some key challenges that warrant further attention.
Authors: Mehran Shabanpour, Kasra Rad, Sadaf Khademi, Arash Mohammadi
Abstract: High-Density surface Electromyography (HDsEMG) has emerged as a pivotal resource for Human-Computer Interaction (HCI), offering direct insights into muscle activities and motion intentions. However, a significant challenge in practical implementations of HD-sEMG-based models is the low accuracy of inter-session and inter-subject classification. Variability between sessions can reach up to 40% due to the inherent temporal variability of HD-sEMG signals. Targeting this challenge, the paper introduces the MoEMba framework, a novel approach leveraging Selective StateSpace Models (SSMs) to enhance HD-sEMG-based gesture recognition. The MoEMba framework captures temporal dependencies and cross-channel interactions through channel attention techniques. Furthermore, wavelet feature modulation is integrated to capture multi-scale temporal and spatial relations, improving signal representation. Experimental results on the CapgMyo HD-sEMG dataset demonstrate that MoEMba achieves a balanced accuracy of 56.9%, outperforming its state-of-the-art counterparts. The proposed framework's robustness to session-to-session variability and its efficient handling of high-dimensional multivariate time series data highlight its potential for advancing HD-sEMG-powered HCI systems.
Authors: K. Sai Praneeth, Anil Kumar Yerrapragada, Achyuth Sagireddi, Sai Prasad, Radha Krishna Ganti
Abstract: Massive Multi Input Multi Output (MIMO) systems enable higher data rates in the downlink (DL) with spatial multiplexing achieved by forming narrow beams. The higher DL data rates are achieved by effective implementation of spatial multiplexing and beamforming which is subject to availability of DL channel state information (CSI) at the base station. For Frequency Division Duplexing (FDD) systems, the DL CSI has to be transmitted by User Equipment (UE) to the gNB and it constitutes a significant overhead which scales with the number of transmitter antennas and the granularity of the CSI. To address the overhead issue, AI/ML methods using auto-encoders have been investigated, where an encoder neural network model at the UE compresses the CSI and a decoder neural network model at the gNB reconstructs it. However, the use of AI/ML methods has a number of challenges related to (1) model complexity, (2) model generalization across channel scenarios and (3) inter-vendor compatibility of the two sides of the model. In this work, we investigate a more traditional dimensionality reduction method that uses Principal Component Analysis (PCA) and therefore does not suffer from the above challenges. Simulation results show that PCA based CSI compression actually achieves comparable reconstruction performance to commonly used deep neural networks based models.
Authors: B\'alint T\'oth, Dominik Senti, Thorir Mar Ingolfsson, Jeffrey Zweidler, Alexandre Elsig, Luca Benini, Yawei Li
Abstract: Blood pressure (BP) is a key indicator of cardiovascular health. As hypertension remains a global cause of morbidity and mortality, accurate, continuous, and non-invasive BP monitoring is therefore of paramount importance. Photoplethysmography (PPG) and electrocardiography (ECG) can potentially enable continuous BP monitoring, yet training accurate and robust machine learning (ML) models remains challenging due to variability in data quality and patient-specific factors. Recently, multiple research groups explored Electroencephalographic (EEG)--based foundation models and demonstrated their exceptional ability to learn rich temporal resolution. Considering the morphological similarities between different biosignals, the question arises of whether a model pre-trained on one modality can effectively be exploited to improve the accuracy of a different signal type. In this work, we take an initial step towards generalized biosignal foundation models by investigating whether model representations learned from abundant EEG data can effectively be transferred to ECG/PPG data solely with fine-tuning, without the need for large-scale additional pre-training, for the BP estimation task. Evaluations on the MIMIC-III and VitalDB datasets demonstrate that our approach achieves near state-of-the-art accuracy for diastolic BP (mean absolute error of 1.57 mmHg) and surpasses by 1.5x the accuracy of prior works for systolic BP (mean absolute error 2.72 mmHg). Additionally, we perform dynamic INT8 quantization, reducing the smallest model size by over 3.5x (from 13.73 MB down to 3.83 MB) while preserving performance, thereby enabling unobtrusive, real-time BP monitoring on resource-constrained wearable devices.
Authors: Francesco Stefano Carzaniga, Gary Tom Hoppeler, Michael Hersche, Kaspar Anton Schindler, Abbas Rahimi
Abstract: All data modalities are not created equal, even when the signal they measure comes from the same source. In the case of the brain, two of the most important data modalities are the scalp electroencephalogram (EEG), and the intracranial electroencephalogram (iEEG). They are used by human experts, supported by deep learning (DL) models, to accomplish a variety of tasks, such as seizure detection and motor imagery classification. Although the differences between EEG and iEEG are well understood by human experts, the performance of DL models across these two modalities remains under-explored. To help characterize the importance of clean data on the performance of DL models, we propose BrainCodec, a high-fidelity EEG and iEEG neural compressor. We find that training BrainCodec on iEEG and then transferring to EEG yields higher reconstruction quality than training on EEG directly. In addition, we also find that training BrainCodec on both EEG and iEEG improves fidelity when reconstructing EEG. Our work indicates that data sources with higher SNR, such as iEEG, provide better performance across the board also in the medical time-series domain. BrainCodec also achieves up to a 64x compression on iEEG and EEG without a notable decrease in quality. BrainCodec markedly surpasses current state-of-the-art compression models both in final compression ratio and in reconstruction fidelity. We also evaluate the fidelity of the compressed signals objectively on a seizure detection and a motor imagery task performed by standard DL models. Here, we find that BrainCodec achieves a reconstruction fidelity high enough to ensure no performance degradation on the downstream tasks. Finally, we collect the subjective assessment of an expert neurologist, that confirms the high reconstruction quality of BrainCodec in a realistic scenario. The code is available at https://github.com/IBM/eeg-ieeg-brain-compressor.
Authors: Armin Salimi-Badr, Mahan Veisi, Sadra Berangi
Abstract: In this paper, an explainable deep learning-based classifier based on adaptive sinc filters for Parkinson's Disease diagnosis (PD) along with determining its severity, based on analyzing the gait cycle (SincPD) is presented. Considering the effects of PD on the gait cycle of patients, the proposed method utilizes raw data in the form of vertical Ground Reaction Force (vGRF) measured by wearable sensors placed in soles of subjects' shoes. The proposed method consists of Sinc layers that model adaptive bandpass filters to extract important frequency-bands in gait cycle of patients along with healthy subjects. Therefore, by considering these frequencies, the reasons behind the classification a person as a patient or healthy can be explained. In this method, after applying some preprocessing processes, a large model equipped with many filters is first trained. Next, to prune the extra units and reach a more explainable and parsimonious structure, the extracted filters are clusters based on their cut-off frequencies using a centroid-based clustering approach. Afterward, the medoids of the extracted clusters are considered as the final filters. Therefore, only 15 bandpass filters for each sensor are derived to classify patients and healthy subjects. Finally, the most effective filters along with the sensors are determined by comparing the energy of each filter encountering patients and healthy subjects.
Authors: Chi-Sheng Chen, Ying-Jung Chen, Aidan Hung-Wen Tsai
Abstract: Electroencephalography provides a non-invasive window into brain activity, offering valuable insights for neurological research, brain-computer interfaces, and clinical diagnostics. However, the development of robust machine learning models for EEG analysis is hindered by the scarcity of large-scale, well-annotated datasets and the inherent variability of EEG signals across subjects and recording conditions. Inspired by the success of foundation models in natural language processing and computer vision, we propose the Large Cognition Model-a transformer-based foundation model designed to generalize across diverse EEG datasets and downstream tasks. Unlike traditional approaches, our proposed transformer-based architecture demonstrates strong generalization capabilities across datasets and tasks, even without pretraining, surpassing some existing EEG universal models on specific downstream applications. LCM leverages large-scale self-supervised learning techniques to capture universal EEG representations, enabling efficient fine-tuning for applications such as cognitive state decoding, disease classification, and neurofeedback systems. We introduce a novel architecture that integrates temporal and spectral attention mechanisms, optimizing the model's ability to extract meaningful features from raw EEG signals. Extensive evaluations demonstrate that LCM outperforms state-of-the-art approaches across multiple EEG benchmarks, exhibiting strong cross-subject and cross-task generalization. Our findings highlight the potential of pretrained EEG foundation models to accelerate advancements in neuroscience, personalized medicine, and BCI technology.
Authors: Mostafa El Gedawy, Omnia Nabil, Omar Mamdouh, Mahmoud Nady, Nour Alhuda Adel, Ahmed Fares
Abstract: Brain activity translation into human language delivers the capability to revolutionize machine-human interaction while providing communication support to people with speech disability. Electronic decoding reaches a certain level of achievement yet current EEG-to-text decoding methods fail to reach open vocabularies and depth of meaning and individual brain-specific variables. We introduce a special framework which changes conventional closed-vocabulary EEG-to-text decoding approaches by integrating subject-specific learning models with natural language processing methods to resolve detection obstacles. This method applies a deep representation learning approach to extract important EEG features which allow training of neural networks to create elaborate sentences that extend beyond original data content. The ZuCo dataset analysis demonstrates that research findings achieve higher BLEU, ROUGE and BERTScore performance when compared to current methods. The research proves how this framework functions as an effective approach to generate meaningful and correct texts while understanding individual brain variations. The proposed research aims to create a connection between open-vocabulary Text generation systems and human brain signal interpretation for developing efficacious brain-to-text systems. The research produces interdisciplinary effects through innovative assistive technology development and personalized communication systems which extend possibilities for human-computer interaction in various settings.
Authors: Ziyue Yang, Chengrui Chen, Yong Peng, Qiong Chen, Wanzeng Kong
Abstract: The Rapid Serial Visual Presentation (RSVP) paradigm represents a promising application of electroencephalography (EEG) in Brain-Computer Interface (BCI) systems. However, cross-subject variability remains a critical challenge, particularly for BCI-illiterate users who struggle to effectively interact with these systems. To address this issue, we propose the Class-Sensitive Subject-to-Subject Semantic Style Transfer Network (CSSSTN), which incorporates a class-sensitive approach to align feature distributions between golden subjects (BCI experts) and target (BCI-illiterate) users on a class-by-class basis. Building on the SSSTN framework, CSSSTN incorporates three key components: (1) subject-specific classifier training, (2) a unique style loss to transfer class-discriminative features while preserving semantic information through a modified content loss, and (3) an ensemble approach to integrate predictions from both source and target domains. We evaluated CSSSTN using both a publicly available dataset and a self-collected dataset. Experimental results demonstrate that CSSSTN outperforms state-of-the-art methods, achieving mean balanced accuracy improvements of 6.4\% on the Tsinghua dataset and 3.5\% on the HDU dataset, with notable benefits for BCI-illiterate users. Ablation studies confirm the effectiveness of each component, particularly the class-sensitive transfer and the use of lower-layer features, which enhance transfer performance and mitigate negative transfer. Additionally, CSSSTN achieves competitive results with minimal target data, reducing calibration time and effort. These findings highlight the practical potential of CSSSTN for real-world BCI applications, offering a robust and scalable solution to improve the performance of BCI-illiterate users while minimizing reliance on extensive training data. Our code is available at https://github.com/ziyuey/CSSSTN.
Authors: Younghoon Na
Abstract: The analysis of lifelogs can yield valuable insights into an individual's daily life, particularly with regard to their health and well-being. The accurate assessment of quality of life is necessitated by the use of diverse sensors and precise synchronization. To rectify this issue, this study proposes the image-based sleep quality and stress level estimation flow (PixleepFlow). PixleepFlow employs a conversion methodology into composite image data to examine sleep patterns and their impact on overall health. Experiments were conducted using lifelog datasets to ascertain the optimal combination of data formats. In addition, we identified which sensor information has the greatest influence on the quality of life through Explainable Artificial Intelligence(XAI). As a result, PixleepFlow produced more significant results than various data formats. This study was part of a written-based competition, and the additional findings from the lifelog dataset are detailed in Section Section IV. More information about PixleepFlow can be found at https://github.com/seongjiko/Pixleep.
Authors: Xu Wang, Jiaju Kang, Puyu Han
Abstract: We present ECG-Expert-QA, a comprehensive multimodal dataset designed for evaluating diagnostic capabilities in ECG interpretation, integrating real clinical data with systematically generated synthetic cases. The dataset encompasses six fundamental diagnostic tasks, comprising 47,211 meticulously curated question-answer pairs that span a spectrum of clinical scenarios, from basic rhythm analysis to complex case interpretation. By simulating challenging clinical cases through a rigorous medical knowledge-guided process, ECG-Expert-QA not only enhances the availability of annotated diagnostic data but also significantly increases the complexity and diversity of clinical presentations, including rare cardiac conditions and temporal progression patterns. This design enables comprehensive evaluation of medical language models across multiple dimensions, including diagnostic accuracy, clinical reasoning, and knowledge integration. To facilitate global research collaboration, ECG-Expert-QA is available in both Chinese and English versions, with rigorous quality control ensuring linguistic and clinical consistency. The dataset's challenging diagnostic tasks, which include interpretation of complex arrhythmias, identification of subtle ischemic changes, and integration of clinical context, establish it as an effective benchmark for advancing AI-assisted ECG interpretation and pushing the boundaries of current diagnostic models. Our dataset is open-source and available at https://github.com/Zaozzz/ECG-Expert-QA.
Authors: Zeyuan Meng, Lovely Yeswanth Panchumarthi, Saurabh Kataria, Alex Fedorov, Jessica Z\`egre-Hemsey, Xiao Hu, Ran Xiao
Abstract: Acute Coronary Syndrome (ACS) is a life-threatening cardiovascular condition where early and accurate diagnosis is critical for effective treatment and improved patient outcomes. This study explores the use of ECG foundation models, specifically ST-MEM and ECG-FM, to enhance ACS risk assessment using prehospital ECG data collected in ambulances. Both models leverage self-supervised learning (SSL), with ST-MEM using a reconstruction-based approach and ECG-FM employing contrastive learning, capturing unique spatial and temporal ECG features. We evaluate the performance of these models individually and through a fusion approach, where their embeddings are combined for enhanced prediction. Results demonstrate that both foundation models outperform a baseline ResNet-50 model, with the fusion-based approach achieving the highest performance (AUROC: 0.843 +/- 0.006, AUCPR: 0.674 +/- 0.012). These findings highlight the potential of ECG foundation models for early ACS detection and motivate further exploration of advanced fusion strategies to maximize complementary feature utilization.
Authors: Niels R. Lorenzen, Poul J. Jennum, Emmanuel Mignot, Andreas Brink-Kjaer
Abstract: Wearable accelerometers are widely used for continuous monitoring of physical activity. Supervised machine learning and deep learning algorithms have long been used to extract meaningful activity information from raw accelerometry data, but progress has been hampered by the limited amount of publicly available labeled data. Exploiting large unlabeled datasets using self-supervised pretraining is a relatively new and underexplored approach in the field of human activity recognition (HAR). We used a time-series transformer masked autoencoder (MAE) approach to self-supervised pretraining and propose a novel spectrogram-based loss function named the log-scale mean magnitude (LMM) loss. We compared MAE models pretrained with LMM to one trained with the mean squared error (MSE) loss. We leveraged the large unlabeled UK Biobank accelerometry dataset (n = 109k) for pretraining and evaluated downstream HAR performance using linear classifier in a smaller labelled dataset. We found that pretraining with the LMM loss improved performance compared to a model pretrained with the MSE loss, with balanced accuracies of 0.848 and 0.709, respectively. Further analysis revealed that better convergence of the LMM loss, but not the MSE loss significantly correlated with improved downstream performance (r=-0.61, p=0.04) for balanced accuracy). Finally, we compared our MAE models to the state-of-the-art for HAR, also pretrained on the UK Biobank accelerometry data. Our LMM-pretrained models performed better when finetuned using a linear classifier and performed comparably when finetuned using an LSTM classifier, while MSE-pretrained models consistently underperformed. Our findings demonstrate that the LMM loss is a robust and effective method for pretraining MAE models on accelerometer data for HAR. Future work should explore optimizing loss function combinations and extending our approach to other tasks.
Authors: Cheol-Hui Lee, Hakseung Kim, Byung C. Yoon, Dong-Joo Kim
Abstract: Sleep is essential for maintaining human health and quality of life. Analyzing physiological signals during sleep is critical in assessing sleep quality and diagnosing sleep disorders. However, manual diagnoses by clinicians are time-intensive and subjective. Despite advances in deep learning that have enhanced automation, these approaches remain heavily dependent on large-scale labeled datasets. This study introduces SynthSleepNet, a multimodal hybrid self-supervised learning framework designed for analyzing polysomnography (PSG) data. SynthSleepNet effectively integrates masked prediction and contrastive learning to leverage complementary features across multiple modalities, including electroencephalogram (EEG), electrooculography (EOG), electromyography (EMG), and electrocardiogram (ECG). This approach enables the model to learn highly expressive representations of PSG data. Furthermore, a temporal context module based on Mamba was developed to efficiently capture contextual information across signals. SynthSleepNet achieved superior performance compared to state-of-the-art methods across three downstream tasks: sleep-stage classification, apnea detection, and hypopnea detection, with accuracies of 89.89%, 99.75%, and 89.60%, respectively. The model demonstrated robust performance in a semi-supervised learning environment with limited labels, achieving accuracies of 87.98%, 99.37%, and 77.52% in the same tasks. These results underscore the potential of the model as a foundational tool for the comprehensive analysis of PSG data. SynthSleepNet demonstrates comprehensively superior performance across multiple downstream tasks compared to other methodologies, making it expected to set a new standard for sleep disorder monitoring and diagnostic systems.
Authors: Ziwei Wang, Siyang Li, Xiaoqing Chen, Wei Li, Dongrui Wu
Abstract: Objective: An electroencephalography (EEG)-based brain-computer interface (BCI) serves as a direct communication pathway between the human brain and an external device. While supervised learning has been extensively explored for motor imagery (MI) EEG classification, small data quantity has been a key factor limiting the performance of deep feature learning. Methods: This paper proposes a knowledge-driven time-space-frequency based multi-view contrastive network (MCNet) for MI EEG decoding in BCIs. MCNet integrates knowledge from the time, space, and frequency domains into the training process through data augmentations from multiple views, fostering more discriminative feature learning of the characteristics of EEG data. We introduce a cross-view contrasting module to learn from different augmented views and a cross-model contrasting module to enhance the consistency of features extracted between knowledge-guided and data-driven models. Results: The combination of EEG data augmentation strategies was systematically investigated for more informative supervised contrastive learning. Experiments on four public MI datasets and three different architectures demonstrated that MCNet outperformed 10 existing approaches. Significance: Our approach can significantly boost EEG classification performance beyond designated networks, showcasing the potential to enhance the feature learning process for better EEG decoding.
Authors: Rong Li, Tao Deng, Siwei Feng, Mingjie Sun, Juncheng Jia
Abstract: WiFi-based human activity recognition (HAR) holds significant application potential across various fields. To handle dynamic environments where new activities are continuously introduced, WiFi-based HAR systems must adapt by learning new concepts without forgetting previously learned ones. Furthermore, retaining knowledge from old activities by storing historical exemplar is impractical for WiFi-based HAR due to privacy concerns and limited storage capacity of edge devices. In this work, we propose ConSense, a lightweight and fast-adapted exemplar-free class incremental learning framework for WiFi-based HAR. The framework leverages the transformer architecture and involves dynamic model expansion and selective retraining to preserve previously learned knowledge while integrating new information. Specifically, during incremental sessions, small-scale trainable parameters that are trained specifically on the data of each task are added in the multi-head self-attention layer. In addition, a selective retraining strategy that dynamically adjusts the weights in multilayer perceptron based on the performance stability of neurons across tasks is used. Rather than training the entire model, the proposed strategies of dynamic model expansion and selective retraining reduce the overall computational load while balancing stability on previous tasks and plasticity on new tasks. Evaluation results on three public WiFi datasets demonstrate that ConSense not only outperforms several competitive approaches but also requires fewer parameters, highlighting its practical utility in class-incremental scenarios for HAR.
Authors: Kexin Fan, Alexander Capstick, Ramin Nilforooshan, Payam Barnaghi
Abstract: Urinary tract infections (UTIs) are a significant health concern, particularly for people living with dementia (PLWD), as they can lead to severe complications if not detected and treated early. This study builds on previous work that utilised machine learning (ML) to detect UTIs in PLWD by analysing in-home activity and physiological data collected through low-cost, passive sensors. The current research focuses on improving the performance of previous models, particularly by refining the Multilayer Perceptron (MLP), to better handle variations in home environments and improve sex fairness in predictions by making use of concepts from multitask learning. This study implemented three primary model designs: feature clustering, loss-dependent clustering, and participant ID embedding which were compared against a baseline MLP model. The results demonstrated that the loss-dependent MLP achieved the most significant improvements, increasing validation precision from 48.92% to 72.60% and sensitivity from 27.44% to 70.52%, while also enhancing model fairness across sexes. These findings suggest that the refined models offer a more reliable and equitable approach to early UTI detection in PLWD, addressing participant-specific data variations and enabling clinicians to detect and screen for UTI risks more effectively, thereby facilitating earlier and more accurate treatment decisions.
Authors: Kianoosh Kazemi, Iman Azimi, Michelle Khine, Rami N. Khayat, Amir M. Rahmani, Pasi Liljeberg
Abstract: Sleep is an essential component of human physiology, contributing significantly to overall health and quality of life. Accurate sleep staging and disorder detection are crucial for assessing sleep quality. Studies in the literature have proposed PSG-based approaches and machine-learning methods utilizing single-modality signals. However, existing methods often lack multimodal, multilabel frameworks and address sleep stages and disorders classification separately. In this paper, we propose a 1D-Vision Transformer for simultaneous classification of sleep stages and sleep disorders. Our method exploits the sleep disorders' correlation with specific sleep stage patterns and performs a simultaneous identification of a sleep stage and sleep disorder. The model is trained and tested using multimodal-multilabel sensory data (including photoplethysmogram, respiratory flow, and respiratory effort signals). The proposed method shows an overall accuracy (cohen's Kappa) of 78% (0.66) for five-stage sleep classification and 74% (0.58) for sleep apnea classification. Moreover, we analyzed the encoder attention weights to clarify our models' predictions and investigate the influence different features have on the models' outputs. The result shows that identified patterns, such as respiratory troughs and peaks, make a higher contribution to the final classification process.
Authors: Thomas Screven, Andras Necz, Jason Smucny, Ian Davidson
Abstract: Although great advances in the analysis of neuroimaging data have been made, a major challenge is a lack of training data. This is less problematic in tasks such as diagnosis, where much data exists, but particularly prevalent in harder problems such as predicting treatment responses (prognosis), where data is focused and hence limited. Here, we address the learning from small data problems for medical imaging using graph neural networks. This is particularly challenging as the information about the patients is themselves graphs (regions of interest connectivity graphs). We show how a spectral representation of the connectivity data allows for efficient propagation that can yield approximately 12\% improvement over traditional deep learning methods using the exact same data. We show that our method's superior performance is due to a data smoothing result that can be measured by closing the number of triangle inequalities and thereby satisfying transitivity.
Authors: Mingfu Liang, Xi Liu, Rong Jin, Boyang Liu, Qiuling Suo, Qinghai Zhou, Song Zhou, Laming Chen, Hua Zheng, Zhiyuan Li, Shali Jiang, Jiyan Yang, Xiaozhen Xia, Fan Yang, Yasmine Badr, Ellie Wen, Shuyu Xu, Hansey Chen, Zhengyu Zhang, Jade Nie, Chunzhi Yang, Zhichen Zeng, Weilin Zhang, Xingliang Huang, Qianru Li, Shiquan Wang, Evelyn Lyu, Wenjing Lu, Rui Zhang, Wenjun Wang, Jason Rudy, Mengyue Hang, Kai Wang, Yinbin Ma, Shuaiwen Wang, Sihan Zeng, Tongyi Tang, Xiaohan Wei, Longhao Jin, Jamey Zhang, Marcus Chen, Jiayi Zhang, Angie Huang, Chi Zhang, Zhengli Zhao, Jared Yang, Qiang Jin, Xian Chen, Amit Anand Amlesahwaram, Lexi Song, Liang Luo, Yuchen Hao, Nan Xiao, Yavuz Yetim, Luoshang Pan, Gaoxiang Liu, Yuxi Hu, Yuzhen Huang, Jackie Xu, Rich Zhu, Xin Zhang, Yiqun Liu, Hang Yin, Yuxin Chen, Buyun Zhang, Xiaoyi Liu, Sylvia Wang, Wenguang Mao, Zhijing Li, Qin Huang, Chonglin Sun, Shupin Mao, Jingzheng Qin, Peggy Yao, Jae-Woo Choi, Bin Gao, Ernest Wang, Lei Zhang, Wen-Yen Chen, Ted Lee, Jay Zha, Yi Meng, Alex Gong, Edison Gao, Alireza Vahdatpour, Yiping Han, Yantao Yao, Toshinari Kureha, Shuo Chang, Musharaf Sultan, John Bocharov, Sagar Chordia, Xiaorui Gan, Peng Sun, Rocky Liu, Bo Long, Wenlin Chen, Santanu Kolay, Huayu Li
Abstract: Ads recommendation is a prominent service of online advertising systems and has been actively studied. Recent studies indicate that scaling-up and advanced design of the recommendation model can bring significant performance improvement. However, with a larger model scale, such prior studies have a significantly increasing gap from industry as they often neglect two fundamental challenges in industrial-scale applications. First, training and inference budgets are restricted for the model to be served, exceeding which may incur latency and impair user experience. Second, large-volume data arrive in a streaming mode with data distributions dynamically shifting, as new users/ads join and existing users/ads leave the system. We propose the External Large Foundation Model (ExFM) framework to address the overlooked challenges. Specifically, we develop external distillation and a data augmentation system (DAS) to control the computational cost of training/inference while maintaining high performance. We design the teacher in a way like a foundation model (FM) that can serve multiple students as vertical models (VMs) to amortize its building cost. We propose Auxiliary Head and Student Adapter to mitigate the data distribution gap between FM and VMs caused by the streaming data issue. Comprehensive experiments on internal industrial-scale applications and public datasets demonstrate significant performance gain by ExFM.
Authors: Sumei Fan, Deyun Zhang, Yue Wang, Shijia Geng, Kun Lu, Meng Sang, Weilun Xu, Haixue Wang, Qinghao Zhao, Chuandong Cheng, Peng Wang, Shenda Hong
Abstract: In recent years, wearable devices have revolutionized cardiac monitoring by enabling continuous, non-invasive ECG recording in real-world settings. Despite these advances, the accuracy of ECG parameter calculations (PR interval, QRS interval, QT interval, etc.) from wearables remains to be rigorously validated against conventional ECG machines and expert clinician assessments. In this large-scale, multicenter study, we evaluated FeatureDB, a novel algorithm for automated computation of ECG parameters from wearable single-lead signals Three diverse datasets were employed: the AHMU-FH dataset (n=88,874), the CSE dataset (n=106), and the HeartVoice-ECG-lite dataset (n=369) with annotations provided by two experienced cardiologists. FeatureDB demonstrates a statistically significant correlation with key parameters (PR interval, QRS duration, QT interval, and QTc) calculated by standard ECG machines and annotated by clinical doctors. Bland-Altman analysis confirms a high level of agreement.Moreover,FeatureDB exhibited robust diagnostic performance in detecting Long QT syndrome (LQT) and atrioventricular block interval abnormalities (AVBI),with excellent area under the ROC curve (LQT: 0.836, AVBI: 0.861),accuracy (LQT: 0.856, AVBI: 0.845),sensitivity (LQT: 0.815, AVBI: 0.877),and specificity (LQT: 0.856, AVBI: 0.845).This further validates its clinical reliability. These results validate the clinical applicability of FeatureDB for wearable ECG analysis and highlight its potential to bridge the gap between traditional diagnostic methods and emerging wearable technologies.Ultimately,this study supports integrating wearable ECG devices into large-scale cardiovascular disease management and early intervention strategies,and it highlights the potential of wearable ECG technologies to deliver accurate,clinically relevant cardiac monitoring while advancing broader applications in cardiovascular care.
Authors: Yijia Xiao, Wanjia Zhao, Junkai Zhang, Yiqiao Jin, Han Zhang, Zhicheng Ren, Renliang Sun, Haixin Wang, Guancheng Wan, Pan Lu, Xiao Luo, Yu Zhang, James Zou, Yizhou Sun, Wei Wang
Abstract: Protein-specific large language models (Protein LLMs) are revolutionizing protein science by enabling more efficient protein structure prediction, function annotation, and design. While existing surveys focus on specific aspects or applications, this work provides the first comprehensive overview of Protein LLMs, covering their architectures, training datasets, evaluation metrics, and diverse applications. Through a systematic analysis of over 100 articles, we propose a structured taxonomy of state-of-the-art Protein LLMs, analyze how they leverage large-scale protein sequence data for improved accuracy, and explore their potential in advancing protein engineering and biomedical research. Additionally, we discuss key challenges and future directions, positioning Protein LLMs as essential tools for scientific discovery in protein science. Resources are maintained at https://github.com/Yijia-Xiao/Protein-LLM-Survey.
Authors: Tasfiq E. Alam, Md Manjurul Ahsan, Shivakumar Raman
Abstract: Bearings play an integral role in ensuring the reliability and efficiency of rotating machinery - reducing friction and handling critical loads. Bearing failures that constitute up to 90% of mechanical faults highlight the imperative need for reliable condition monitoring and fault detection. This study proposes a multimodal bearing fault classification approach that relies on vibration and motor phase current signals within a one-dimensional convolutional neural network (1D CNN) framework. The method fuses features from multiple signals to enhance the accuracy of fault detection. Under the baseline condition (1,500 rpm, 0.7 Nm load torque, and 1,000 N radial force), the model reaches an accuracy of 96% with addition of L2 regularization. This represents a notable improvement of 2% compared to the non-regularized model. In addition, the model demonstrates robust performance across three distinct operating conditions by employing transfer learning (TL) strategies. Among the tested TL variants, the approach that preserves parameters up to the first max-pool layer and then adjusts subsequent layers achieves the highest performance. While this approach attains excellent accuracy across varied conditions, it requires more computational time due to its greater number of trainable parameters. To address resource constraints, less computationally intensive models offer feasible trade-offs, albeit at a slight accuracy cost. Overall, this multimodal 1D CNN framework with late fusion and TL strategies lays a foundation for more accurate, adaptable, and efficient bearing fault classification in industrial environments with variable operating conditions.
Authors: Vijay Kumar Sutrakar, Anjana P K, Sajal Kesharwani, Siddharth Bisariya
Abstract: The paper presents an innovative methodology for designing frequency selective surface (FSS) based radar absorbing materials using machine learning (ML) technique. In conventional electromagnetic design, unit cell dimensions of FSS are used as input and absorption coefficient is then predicted for a given design. In this paper, absorption coefficient is considered as input to ML model and image of FSS unit cell is predicted. Later, this image is used for generating the FSS unit cell parameters. Eleven different ML models are studied over a wide frequency band of 1GHz to 30GHz. Out of which six ML models (i.e. (a) Random Forest classification, (b) K- Neighbors Classification, (c) Grid search regression, (d) Random Forest regression, (e) Decision tree classification, and (f) Decision tree regression) show training accuracy more than 90%. The absorption coefficients with varying frequencies of these predicted images are subsequently evaluated using commercial electromagnetic solver. The performance of these ML models is encouraging, and it can be used for accelerating design and optimization of high performance FSS based radar absorbing material for advanced electromagnetic applications in future.
Authors: Xiaoyan Li, Shixin Xu, Faisal Habib, Neda Aminnejad, Arvind Gupta, Huaxiong Huang
Abstract: This study addresses the challenge of reconstructing unseen ECG signals from PPG signals, a critical task for non-invasive cardiac monitoring. While numerous public ECG-PPG datasets are available, they lack the diversity seen in image datasets, and data collection processes often introduce noise, complicating ECG reconstruction from PPG even with advanced machine learning models. To tackle these challenges, we first introduce a novel synthetic ECG-PPG data generation technique using an ODE model to enhance training diversity. Next, we develop a novel subject-independent PPG-to-ECG reconstruction model that integrates contrastive learning, adversarial learning, and attention gating, achieving results comparable to or even surpassing existing approaches for unseen ECG reconstruction. Finally, we examine factors such as sex and age that impact reconstruction accuracy, emphasizing the importance of considering demographic diversity during model training and dataset augmentation.
Authors: Maria Demidik, Cenk T\"uys\"uz, Nico Piatkowski, Michele Grossi, Karl Jansen
Abstract: Quantum computers offer the potential for efficiently sampling from complex probability distributions, attracting increasing interest in generative modeling within quantum machine learning. This surge in interest has driven the development of numerous generative quantum models, yet their trainability and scalability remain significant challenges. A notable example is a quantum restricted Boltzmann machine (QRBM), which is based on the Gibbs state of a parameterized non-commuting Hamiltonian. While QRBMs are expressive, their non-commuting Hamiltonians make gradient evaluation computationally demanding, even on fault-tolerant quantum computers. In this work, we propose a semi-quantum restricted Boltzmann machine (sqRBM), a model designed for classical data that mitigates the challenges associated with previous QRBM proposals. The sqRBM Hamiltonian is commuting in the visible subspace while remaining non-commuting in the hidden subspace. This structure allows us to derive closed-form expressions for both output probabilities and gradients. Leveraging these analytical results, we demonstrate that sqRBMs share a close relationship with classical restricted Boltzmann machines (RBM). Our theoretical analysis predicts that, to learn a given probability distribution, an RBM requires three times as many hidden units as an sqRBM, while both models have the same total number of parameters. We validate these findings through numerical simulations involving up to 100 units. Our results suggest that sqRBMs could enable practical quantum machine learning applications in the near future by significantly reducing quantum resource requirements.
Authors: Am\'ilcar R. Torres-Quijano, Natalie R. Hinkel, Caleb H. Wheeler III, Patrick A. Young, Luan Ghezzi, Augusto P. Baldo
Abstract: Stars and their associated planets originate from the same cloud of gas and dust, making a star's elemental composition a valuable indicator for indirectly studying planetary compositions. While the connection between a star's iron (Fe) abundance and the presence of giant exoplanets is established (e.g. Gonzalez 1997; Fischer & Valenti 2005), the relationship with small planets remains unclear. The elements Mg, Si, and Fe are important in forming small planets. Employing machine learning algorithms like XGBoost, trained on the abundances (e.g., the Hypatia Catalog, Hinkel et al. 2014) of known exoplanet-hosting stars (NASA Exoplanet Archive), allows us to determine significant "features" (abundances or molar ratios) that may indicate the presence of small planets. We test on three groups of exoplanets: (a) all small, R$_{P}$ $<$ 3.5 $R_{\oplus}$, (b) sub-Neptunes, 2.0 $R_{\oplus}$ $<$ R$_{P}$ $<$ 3.5 $R_{\oplus}$, and (c) super-Earths, 1.0 $R_{\oplus}$ $<$ R$_{P}$ $<$ 2.0 $R_{\oplus}$ -- each subdivided into 7 ensembles to test different combinations of features. We created a list of stars with $\geq90\%$ probability of hosting small planets across all ensembles and experiments ("overlap stars"). We found abundance trends for stars hosting small planets, possibly indicating star-planet chemical interplay during formation. We also found that Na and V are key features regardless of planetary radii. We expect our results to underscore the importance of elements in exoplanet formation and machine learning's role in target selection for future NASA missions: e.g., the James Webb Space Telescope (JWST), Nancy Grace Roman Space Telescope (NGRST), Habitable Worlds Observatory (HWO) -- all of which are aimed at small planet detection.
Authors: Rylan Schaeffer, Joshua Kazdan, John Hughes, Jordan Juravsky, Sara Price, Aengus Lynch, Erik Jones, Robert Kirk, Azalia Mirhoseini, Sanmi Koyejo
Abstract: Recent research across mathematical problem solving, proof assistant programming and multimodal jailbreaking documents a striking finding: when (multimodal) language model tackle a suite of tasks with multiple attempts per task -- succeeding if any attempt is correct -- then the negative log of the average success rate scales a power law in the number of attempts. In this work, we identify an apparent puzzle: a simple mathematical calculation predicts that on each problem, the failure rate should fall exponentially with the number of attempts. We confirm this prediction empirically, raising a question: from where does aggregate polynomial scaling emerge? We then answer this question by demonstrating per-problem exponential scaling can be made consistent with aggregate polynomial scaling if the distribution of single-attempt success probabilities is heavy tailed such that a small fraction of tasks with extremely low success probabilities collectively warp the aggregate success trend into a power law - even as each problem scales exponentially on its own. We further demonstrate that this distributional perspective explains previously observed deviations from power law scaling, and provides a simple method for forecasting the power law exponent with an order of magnitude lower relative error, or equivalently, ${\sim}2-4$ orders of magnitude less inference compute. Overall, our work contributes to a better understanding of how neural language model performance improves with scaling inference compute and the development of scaling-predictable evaluations of (multimodal) language models.
Authors: Gregory Koushnir, Michael Fire, Galit Fuhrmann Alpert, Dima Kagan
Abstract: Voice data is increasingly being used in modern digital communications, yet there is still a lack of comprehensive tools for automated voice analysis and characterization. To this end, we developed the VANPY (Voice Analysis in Python) framework for automated pre-processing, feature extraction, and classification of voice data. The VANPY is an open-source end-to-end comprehensive framework that was developed for the purpose of speaker characterization from voice data. The framework is designed with extensibility in mind, allowing for easy integration of new components and adaptation to various voice analysis applications. It currently incorporates over fifteen voice analysis components - including music/speech separation, voice activity detection, speaker embedding, vocal feature extraction, and various classification models. Four of the VANPY's components were developed in-house and integrated into the framework to extend its speaker characterization capabilities: gender classification, emotion classification, age regression, and height regression. The models demonstrate robust performance across various datasets, although not surpassing state-of-the-art performance. As a proof of concept, we demonstrate the framework's ability to extract speaker characteristics on a use-case challenge of analyzing character voices from the movie "Pulp Fiction." The results illustrate the framework's capability to extract multiple speaker characteristics, including gender, age, height, emotion type, and emotion intensity measured across three dimensions: arousal, dominance, and valence.
Authors: M. A. Fernandez, Elizabeth A. Barnes
Abstract: Multi-year-to-decadal climate prediction is a key tool in understanding the range of potential regional and global climate futures. Here, we present a framework that combines machine learning and analog forecasting for predictions on these timescales. A neural network is used to learn a mask, specific to a region and lead time, with global weights based on relative importance as precursors to the evolution of that prediction target. A library of mask-weighted model states, or potential analogs, are then compared to a single mask-weighted observational state. The known future of the best matching potential analogs serve as the prediction for the future of the observational state. We match and predict 2-meter temperature using the Berkeley Earth Surface Temperature dataset for observations, and a set of CMIP6 models as the analog library. We find improved performance over traditional analog methods and initialized decadal predictions.
Authors: Christopher Zerafa, Pauline Galea, Cristiana Sebu
Abstract: This review explores the integration of deep learning (DL) with full-waveform inversion (FWI) for enhanced seismic imaging and subsurface characterization. It covers FWI and DL fundamentals, geophysical applications (velocity estimation, deconvolution, tomography), and challenges (model complexity, data quality). The review also outlines future research directions, including hybrid, generative, and physics-informed models for improved accuracy, efficiency, and reliability in subsurface property estimation. The synergy between DL and FWI has the potential to transform geophysics, providing new insights into Earth's subsurface.
Authors: Wei Liu, Muhammad Khan, Gabriel Mancino-Ball, Yangyang Xu
Abstract: Applications such as adversarially robust training and Wasserstein Distributionally Robust Optimization (WDRO) can be naturally formulated as min-sum-max optimization problems. While this formulation can be rewritten as an equivalent min-max problem, the summation of max terms introduces computational challenges, including increased complexity and memory demands, which must be addressed. These challenges are particularly evident in WDRO, where existing tractable algorithms often rely on restrictive assumptions on the objective function, limiting their applicability to state-of-the-art machine learning problems such as the training of deep neural networks. This study introduces a novel stochastic smoothing framework based on the \mbox{log-sum-exp} function, efficiently approximating the max operator in min-sum-max problems. By leveraging the Clarke regularity of the max operator, we develop an iterative smoothing algorithm that addresses these computational difficulties and guarantees almost surely convergence to a Clarke/directional stationary point. We further prove that the proposed algorithm finds an $\epsilon$-scaled Clarke stationary point of the original problem, with a worst-case iteration complexity of $\widetilde{O}(\epsilon^{-3})$. Our numerical experiments demonstrate that our approach outperforms or is competitive with state-of-the-art methods in solving the newsvendor problem, deep learning regression, and adversarially robust deep learning. The results highlight that our method yields more accurate and robust solutions in these challenging problem settings.
Authors: Tian Yu Liu, Alessandro Achille, Matthew Trager, Aditya Golatkar, Luca Zancato, Stefano Soatto
Abstract: Providing Large Language Models with relevant contextual knowledge at inference time has been shown to greatly improve the quality of their generations. This is often achieved by prepending informative passages of text, or 'contexts', retrieved from external knowledge bases to their input. However, processing additional contexts online incurs significant computation costs that scale with their length. State Space Models (SSMs) offer a promising solution by allowing a database of contexts to be mapped onto fixed-dimensional states from which to start the generation. A key challenge arises when attempting to leverage information present across multiple contexts, since there is no straightforward way to condition generation on multiple independent states in existing SSMs. To address this, we leverage a simple mathematical relation derived from SSM dynamics to compose multiple states into one that efficiently approximates the effect of concatenating textual contexts. Since the temporal ordering of contexts can often be uninformative, we enforce permutation-invariance by efficiently averaging states obtained via our composition algorithm across all possible context orderings. We evaluate our resulting method on WikiText and MSMARCO in both zero-shot and fine-tuned settings, and show that we can match the strongest performing baseline while enjoying on average 5.4x speedup.
Authors: Christopher Zerafa, Pauline Galea, Cristiana Sebu
Abstract: FWI seeks to achieve a high-resolution model of the subsurface through the application of multi-variate optimization to the seismic inverse problem. Although now a mature technology, FWI has limitations related to the choice of the appropriate solver for the forward problem in challenging environments requiring complex assumptions, and very wide angle and multi-azimuth data necessary for full reconstruction are often not available. Deep Learning techniques have emerged as excellent optimization frameworks. These exist between data and theory-guided methods. Data-driven methods do not impose a wave propagation model and are not exposed to modelling errors. On the contrary, deterministic models are governed by the laws of physics. Application of seismic FWI has recently started to be investigated within Deep Learning. This has focussed on the time-domain approach, while the pseudo-spectral domain has not been yet explored. However, classical FWI experienced major breakthroughs when pseudo-spectral approaches were employed. This work addresses the lacuna that exists in incorporating the pseudo-spectral approach within Deep Learning. This has been done by re-formulating the pseudo-spectral FWI problem as a Deep Learning algorithm for a data-driven pseudo-spectral approach. A novel DNN framework is proposed. This is formulated theoretically, qualitatively assessed on synthetic data, applied to a two-dimensional Marmousi dataset and evaluated against deterministic and time-based approaches. Inversion of data-driven pseudo-spectral DNN was found to outperform classical FWI for deeper and over-thrust areas. This is due to the global approximator nature of the technique and hence not bound by forward-modelling physical constraints from ray-tracing.
Authors: Taos Transue, Bao Wang
Abstract: The orchestration of agents to optimize a collective objective without centralized control is challenging yet crucial for applications such as controlling autonomous fleets, and surveillance and reconnaissance using sensor networks. Decentralized controller design has been inspired by self-organization found in nature, with a prominent source of inspiration being flocking; however, decentralized controllers struggle to maintain flock cohesion. The graph neural network (GNN) architecture has emerged as an indispensable machine learning tool for developing decentralized controllers capable of maintaining flock cohesion, but they fail to exploit the symmetries present in flocking dynamics, hindering their generalizability. We enforce rotation equivariance and translation invariance symmetries in decentralized flocking GNN controllers and achieve comparable flocking control with 70% less training data and 75% fewer trainable weights than existing GNN controllers without these symmetries enforced. We also show that our symmetry-aware controller generalizes better than existing GNN controllers. Code and animations are available at http://github.com/Utah-Math-Data-Science/Equivariant-Decentralized-Controllers.
URLs: http://github.com/Utah-Math-Data-Science/Equivariant-Decentralized-Controllers.
Authors: Cito Balsells, Beatrice Riviere, David Fuentes
Abstract: We formulate truncated singular value decompositions of entire convolutional neural networks. We demonstrate the computed left and right singular vectors are useful in identifying which images the convolutional neural network is likely to perform poorly on. To create this diagnostic tool, we define two metrics: the Right Projection Ratio and the Left Projection Ratio. The Right (Left) Projection Ratio evaluates the fidelity of the projection of an image (label) onto the computed right (left) singular vectors. We observe that both ratios are able to identify the presence of class imbalance for an image classification problem. Additionally, the Right Projection Ratio, which only requires unlabeled data, is found to be correlated to the model's performance when applied to image segmentation. This suggests the Right Projection Ratio could be a useful metric to estimate how likely the model is to perform well on a sample.
Authors: Sangwon Seo, Bing Han, Rayan E. Harari, Roger D. Dias, Marco A. Zenati, Eduardo Salas, Vaibhav Unhelkar
Abstract: Coaches are vital for effective collaboration, but cost and resource constraints often limit their availability during real-world tasks. This limitation poses serious challenges in life-critical domains that rely on effective teamwork, such as healthcare and disaster response. To address this gap, we propose and realize an innovative application of AI: task-time team coaching. Specifically, we introduce Socratic, a novel AI system that complements human coaches by providing real-time guidance during task execution. Socratic monitors team behavior, detects misalignments in team members' shared understanding, and delivers automated interventions to improve team performance. We validated Socratic through two human subject experiments involving dyadic collaboration. The results demonstrate that the system significantly enhances team performance with minimal interventions. Participants also perceived Socratic as helpful and trustworthy, supporting its potential for adoption. Our findings also suggest promising directions both for AI research and its practical applications to enhance human teamwork.
Authors: Zhixin Lu, {\L}ukasz Ku\'smierz, Stefan Mihalas
Abstract: We have derived a novel loss function from the Fokker-Planck equation that links dynamical system models with their probability density functions, demonstrating its utility in model identification and density estimation. In the first application, we show that this loss function can enable the extraction of dynamical parameters from non-temporal datasets, including timestamp-free measurements from steady non-equilibrium systems such as noisy Lorenz systems and gene regulatory networks. In the second application, when coupled with a density estimator, this loss facilitates density estimation when the dynamic equations are known. For density estimation, we propose a density estimator that integrates a Gaussian Mixture Model with a normalizing flow model. It simultaneously estimates normalized density, energy, and score functions from both empirical data and dynamics. It is compatible with a variety of data-based training methodologies, including maximum likelihood and score matching. It features a latent space akin to a modern Hopfield network, where the inherent Hopfield energy effectively assigns low densities to sparsely populated data regions, addressing common challenges in neural density estimators. Additionally, this Hopfield-like energy enables direct and rapid data manipulation through the Concave-Convex Procedure (CCCP) rule, facilitating tasks such as denoising and clustering. Our work demonstrates a principled framework for leveraging the complex interdependencies between dynamics and density estimation, as illustrated through synthetic examples that clarify the underlying theoretical intuitions.
Authors: Ruxiao Chen, Chenguang Wang, Yuran Sun, Xilei Zhao, Susu Xu
Abstract: Evacuation decision prediction is critical for efficient and effective wildfire response by helping emergency management anticipate traffic congestion and bottlenecks, allocate resources, and minimize negative impacts. Traditional statistical methods for evacuation decision prediction fail to capture the complex and diverse behavioral logic of different individuals. In this work, for the first time, we introduce FLARE, short for facilitating LLM for advanced reasoning on wildfire evacuation decision prediction, a Large Language Model (LLM)-based framework that integrates behavioral theories and models to streamline the Chain-of-Thought (CoT) reasoning and subsequently integrate with memory-based Reinforcement Learning (RL) module to provide accurate evacuation decision prediction and understanding. Our proposed method addresses the limitations of using existing LLMs for evacuation behavioral predictions, such as limited survey data, mismatching with behavioral theory, conflicting individual preferences, implicit and complex mental states, and intractable mental state-behavior mapping. Experiments on three post-wildfire survey datasets show an average of 20.47% performance improvement over traditional theory-informed behavioral models, with strong cross-event generalizability. Our complete code is publicly available at https://github.com/SusuXu-s-Lab/FLARE
Authors: Yu Zhou, Bingxuan Li, Mohan Tang, Xiaomeng Jin, Te-Lin Wu, Kuan-Hao Huang, Heng Ji, Kai-Wei Chang, Nanyun Peng
Abstract: Large multimodal models (LMMs) often struggle to recognize novel concepts, as they rely on pre-trained knowledge and have limited ability to capture subtle visual details. Domain-specific knowledge gaps in training also make them prone to confusing visually similar, commonly misrepresented, or low-resource concepts. To help LMMs better align nuanced visual features with language, improving their ability to recognize and reason about novel or rare concepts, we propose a Contrastive visual Data Augmentation (CoDA) strategy. CoDA extracts key contrastive textual and visual features of target concepts against the known concepts they are misrecognized as, and then uses multimodal generative models to produce targeted synthetic data. Automatic filtering of extracted features and augmented images is implemented to guarantee their quality, as verified by human annotators. We show the effectiveness and efficiency of CoDA on low-resource concept and diverse scene recognition datasets including INaturalist and SUN. We additionally collect NovelSpecies, a benchmark dataset consisting of newly discovered animal species that are guaranteed to be unseen by LMMs. LLaVA-1.6 1-shot updating results on these three datasets show CoDA significantly improves SOTA visual data augmentation strategies by 12.3% (NovelSpecies), 5.1% (SUN), and 6.0% (iNat) absolute gains in accuracy.
Authors: Akhila Yerukola, Saadia Gabriel, Nanyun Peng, Maarten Sap
Abstract: Gestures are an integral part of non-verbal communication, with meanings that vary across cultures, and misinterpretations that can have serious social and diplomatic consequences. As AI systems become more integrated into global applications, ensuring they do not inadvertently perpetuate cultural offenses is critical. To this end, we introduce Multi-Cultural Set of Inappropriate Gestures and Nonverbal Signs (MC-SIGNS), a dataset of 288 gesture-country pairs annotated for offensiveness, cultural significance, and contextual factors across 25 gestures and 85 countries. Through systematic evaluation using MC-SIGNS, we uncover critical limitations: text-to-image (T2I) systems exhibit strong US-centric biases, performing better at detecting offensive gestures in US contexts than in non-US ones; large language models (LLMs) tend to over-flag gestures as offensive; and vision-language models (VLMs) default to US-based interpretations when responding to universal concepts like wishing someone luck, frequently suggesting culturally inappropriate gestures. These findings highlight the urgent need for culturally-aware AI safety mechanisms to ensure equitable global deployment of AI technologies.
Authors: Guanlin Liu, Anand Ramachandran, Tanmay Gangwani, Yan Fu, Abhinav Sethy
Abstract: Knowledge distillation is used, in generative language modeling, to train a smaller student model using the help of a larger teacher model, resulting in improved capabilities for the student model. In this paper, we formulate a more general framework for knowledge distillation where the student learns from the teacher during training, and also learns to ask for the teacher's help at test-time following rules specifying test-time restrictions. Towards this, we first formulate knowledge distillation as an entropy-regularized value optimization problem. Adopting Path Consistency Learning to solve this, leads to a new knowledge distillation algorithm using on-policy and off-policy demonstrations. We extend this using constrained reinforcement learning to a framework that incorporates the use of the teacher model as a test-time reference, within constraints. In this situation, akin to a human learner, the model needs to learn not only the learning material, but also the relative difficulty of different sections to prioritize for seeking teacher help. We examine the efficacy of our method through experiments in translation and summarization tasks, observing trends in accuracy and teacher use, noting that our approach unlocks operating points not available to the popular Speculative Decoding approach.
Authors: Amine Mohamed Aboussalah, Abdessalam Ed-dib
Abstract: Graph Neural Networks (GNNs) have demonstrated remarkable success in learning from graph-structured data. However, the influence of the input graph's topology on GNN behavior remains poorly understood. In this work, we explore whether GNNs are inherently limited by the structure of their input graphs, focusing on how local topological features interact with the message-passing scheme to produce global phenomena such as oversmoothing or expressive representations. We introduce the concept of $k$-hop similarity and investigate whether locally similar neighborhoods lead to consistent node representations. This interaction can result in either effective learning or inevitable oversmoothing, depending on the inherent properties of the graph. Our empirical experiments validate these insights, highlighting the practical implications of graph topology on GNN performance.
Authors: Gustavo Bor\'e (Pontificia Universidad Cat\'olica de Chile), Vicente Suf\'an (Pontificia Universidad Cat\'olica de Chile), Sebasti\'an Rodr\'iguez-Mart\'inez (Monterey Bay Aquarium Research Institute), Giancarlo Troni (Monterey Bay Aquarium Research Institute)
Abstract: The use of autonomous underwater vehicles (AUVs) for surveying, mapping, and inspecting unexplored underwater areas plays a crucial role, where maneuverability and power efficiency are key factors for extending the use of these platforms, making six degrees of freedom (6-DOF) holonomic platforms essential tools. Although Proportional-Integral-Derivative (PID) and Model Predictive Control controllers are widely used in these applications, they often require accurate system knowledge, struggle with repeatability when facing payload or configuration changes, and can be time-consuming to fine-tune. While more advanced methods based on Deep Reinforcement Learning (DRL) have been proposed, they are typically limited to operating in fewer degrees of freedom. This paper proposes a novel DRL-based approach for controlling holonomic 6-DOF AUVs using the Truncated Quantile Critics (TQC) algorithm, which does not require manual tuning and directly feeds commands to the thrusters without prior knowledge of their configuration. Furthermore, it incorporates power consumption directly into the reward function. Simulation results show that the TQC High-Performance method achieves better performance to a fine-tuned PID controller when reaching a goal point, while the TQC Energy-Aware method demonstrates slightly lower performance but consumes 30% less power on average.
Authors: Baozhen Wang, Xingye Qiao
Abstract: In many real applications of statistical learning, collecting sufficiently many training data is often expensive, time-consuming, or even unrealistic. In this case, a transfer learning approach, which aims to leverage knowledge from a related source domain to improve the learning performance in the target domain, is more beneficial. There have been many transfer learning methods developed under various distributional assumptions. In this article, we study a particular type of classification problem, called conformal prediction, under a new distributional assumption for transfer learning. Classifiers under the conformal prediction framework predict a set of plausible labels instead of one single label for each data instance, affording a more cautious and safer decision. We consider a generalization of the \textit{covariate shift with posterior drift} setting for transfer learning. Under this setting, we propose a weighted conformal classifier that leverages both the source and target samples, with a coverage guarantee in the target domain. Theoretical studies demonstrate favorable asymptotic properties. Numerical studies further illustrate the usefulness of the proposed method.
Authors: Chengpiao Huang, Yuhang Wu, Kaizheng Wang
Abstract: We investigate the reliable use of simulated survey responses from large language models (LLMs) through the lens of uncertainty quantification. Our approach converts synthetic data into confidence sets for population parameters of human responses, addressing the distribution shift between the simulated and real populations. A key innovation lies in determining the optimal number of simulated responses: too many produce overly narrow confidence sets with poor coverage, while too few yield excessively loose estimates. To resolve this, our method adaptively selects the simulation sample size, ensuring valid average-case coverage guarantees. It is broadly applicable to any LLM, irrespective of its fidelity, and any procedure for constructing confidence sets. Additionally, the selected sample size quantifies the degree of misalignment between the LLM and the target human population. We illustrate our method on real datasets and LLMs.
Authors: Xiongxiao Xu, Haoran Wang, Yueqing Liang, Philip S. Yu, Yue Zhao, Kai Shu
Abstract: Large language models (LLMs) have been increasingly used in time series analysis. However, the potential of multimodal LLMs (MLLMs), particularly vision-language models, for time series remains largely under-explored. One natural way for humans to detect time series anomalies is through visualization and textual description. Motivated by this, we raise a critical and practical research question: Can multimodal LLMs perform time series anomaly detection? To answer this, we propose VisualTimeAnomaly benchmark to evaluate MLLMs in time series anomaly detection (TSAD). Our approach transforms time series numerical data into the image format and feed these images into various MLLMs, including proprietary models (GPT-4o and Gemini-1.5) and open-source models (LLaVA-NeXT and Qwen2-VL), each with one larger and one smaller variant. In total, VisualTimeAnomaly contains 12.4k time series images spanning 3 scenarios and 3 anomaly granularities with 9 anomaly types across 8 MLLMs. Starting with the univariate case (point- and range-wise anomalies), we extend our evaluation to more practical scenarios, including multivariate and irregular time series scenarios, and variate-wise anomalies. Our study reveals several key insights: 1) MLLMs detect range- and variate-wise anomalies more effectively than point-wise anomalies. 2) MLLMs are highly robust to irregular time series, even with 25% of the data missing. 3) Open-source MLLMs perform comparably to proprietary models in TSAD. While open-source MLLMs excel on univariate time series, proprietary MLLMs demonstrate superior effectiveness on multivariate time series. To the best of our knowledge, this is the first work to comprehensively investigate MLLMs for TSAD, particularly for multivariate and irregular time series scenarios. We release our dataset and code at https://github.com/mllm-ts/VisualTimeAnomaly to support future research.
Authors: Meng Feng, Viraj Parimi, Brian Williams
Abstract: Safe navigation is essential for autonomous systems operating in hazardous environments. Traditional planning methods excel at long-horizon tasks but rely on a predefined graph with fixed distance metrics. In contrast, safe Reinforcement Learning (RL) can learn complex behaviors without relying on manual heuristics but fails to solve long-horizon tasks, particularly in goal-conditioned and multi-agent scenarios. In this paper, we introduce a novel method that integrates the strengths of both planning and safe RL. Our method leverages goal-conditioned RL and safe RL to learn a goal-conditioned policy for navigation while concurrently estimating cumulative distance and safety levels using learned value functions via an automated self-training algorithm. By constructing a graph with states from the replay buffer, our method prunes unsafe edges and generates a waypoint-based plan that the agent follows until reaching its goal, effectively balancing faster and safer routes over extended distances. Utilizing this unified high-level graph and a shared low-level goal-conditioned safe RL policy, we extend this approach to address the multi-agent safe navigation problem. In particular, we leverage Conflict-Based Search (CBS) to create waypoint-based plans for multiple agents allowing for their safe navigation over extended horizons. This integration enhances the scalability of goal-conditioned safe RL in multi-agent scenarios, enabling efficient coordination among agents. Extensive benchmarking against state-of-the-art baselines demonstrates the effectiveness of our method in achieving distance goals safely for multiple agents in complex and hazardous environments. Our code will be released to support future research.
Authors: Wenlong Ji, Weizhe Yuan, Emily Getzen, Kyunghyun Cho, Michael I. Jordan, Song Mei, Jason E Weston, Weijie J. Su, Jing Xu, Linjun Zhang
Abstract: Large Language Models (LLMs) have emerged as transformative tools in artificial intelligence (AI), exhibiting remarkable capabilities across diverse tasks such as text generation, reasoning, and decision-making. While their success has primarily been driven by advances in computational power and deep learning architectures, emerging problems -- in areas such as uncertainty quantification, decision-making, causal inference, and distribution shift -- require a deeper engagement with the field of statistics. This paper explores potential areas where statisticians can make important contributions to the development of LLMs, particularly those that aim to engender trustworthiness and transparency for human users. Thus, we focus on issues such as uncertainty quantification, interpretability, fairness, privacy, watermarking and model adaptation. We also consider possible roles for LLMs in statistical analysis. By bridging AI and statistics, we aim to foster a deeper collaboration that advances both the theoretical foundations and practical applications of LLMs, ultimately shaping their role in addressing complex societal challenges.
Authors: Rui Liu, Yu Shen, Peng Gao, Pratap Tokekar, Ming Lin
Abstract: Multi-modality learning has become a crucial technique for improving the performance of machine learning applications across domains such as autonomous driving, robotics, and perception systems. While existing frameworks such as Auxiliary Modality Learning (AML) effectively utilize multiple data sources during training and enable inference with reduced modalities, they primarily operate in a single-agent context. This limitation is particularly critical in dynamic environments, such as connected autonomous vehicles (CAV), where incomplete data coverage can lead to decision-making blind spots. To address these challenges, we propose Collaborative Auxiliary Modality Learning ($\textbf{CAML}$), a novel multi-agent multi-modality framework that enables agents to collaborate and share multimodal data during training while allowing inference with reduced modalities per agent during testing. We systematically analyze the effectiveness of $\textbf{CAML}$ from the perspective of uncertainty reduction and data coverage, providing theoretical insights into its advantages over AML. Experimental results in collaborative decision-making for CAV in accident-prone scenarios demonstrate that \ours~achieves up to a ${\bf 58.13}\%$ improvement in accident detection. Additionally, we validate $\textbf{CAML}$ on real-world aerial-ground robot data for collaborative semantic segmentation, achieving up to a ${\bf 10.61}\%$ improvement in mIoU.
Authors: Basma Nasir, Tehseen Zia, Muhammad Nawaz, Catarina Moreira
Abstract: Medical image annotation is essential for diagnosing diseases, yet manual annotation is time-consuming, costly, and prone to variability among experts. To address these challenges, we propose an automated explainable annotation system that integrates ensemble learning, visual explainability, and uncertainty quantification. Our approach combines three pre-trained deep learning models - ResNet50, EfficientNet, and DenseNet - enhanced with XGrad-CAM for visual explanations and Monte Carlo Dropout for uncertainty quantification. This ensemble mimics the consensus of multiple radiologists by intersecting saliency maps from models that agree on the diagnosis while uncertain predictions are flagged for human review. We evaluated our system using the TBX11K medical imaging dataset and a Fire segmentation dataset, demonstrating its robustness across different domains. Experimental results show that our method outperforms baseline models, achieving 93.04% accuracy on TBX11K and 96.4% accuracy on the Fire dataset. Moreover, our model produces precise pixel-level annotations despite being trained with only image-level labels, achieving Intersection over Union IoU scores of 36.07% and 64.7%, respectively. By enhancing the accuracy and interpretability of image annotations, our approach offers a reliable and transparent solution for medical diagnostics and other image analysis tasks.
Authors: Muhammad Nawaz, Basma Nasir, Tehseen Zia, Zawar Hussain, Catarina Moreira
Abstract: Precise identification and localization of disease-specific features at the pixel-level are particularly important for early diagnosis, disease progression monitoring, and effective treatment in medical image analysis. However, conventional diagnostic AI systems lack decision transparency and cannot operate well in environments where there is a lack of pixel-level annotations. In this study, we propose a novel Generative Adversarial Networks (GANs)-based framework, TagGAN, which is tailored for weakly-supervised fine-grained disease map generation from purely image-level labeled data. TagGAN generates a pixel-level disease map during domain translation from an abnormal image to a normal representation. Later, this map is subtracted from the input abnormal image to convert it into its normal counterpart while preserving all the critical anatomical details. Our method is first to generate fine-grained disease maps to visualize disease lesions in a weekly supervised setting without requiring pixel-level annotations. This development enhances the interpretability of diagnostic AI by providing precise visualizations of disease-specific regions. It also introduces automated binary mask generation to assist radiologists. Empirical evaluations carried out on the benchmark datasets, CheXpert, TBX11K, and COVID-19, demonstrate the capability of TagGAN to outperform current top models in accurately identifying disease-specific pixels. This outcome highlights the capability of the proposed model to tag medical images, significantly reducing the workload for radiologists by eliminating the need for binary masks during training.
Authors: Haris Riaz, Ellen Riloff, Mihai Surdeanu
Abstract: We propose a simple, unsupervised method that injects pragmatic principles in retrieval-augmented generation (RAG) frameworks such as Dense Passage Retrieval~\cite{karpukhin2020densepassageretrievalopendomain} to enhance the utility of retrieved contexts. Our approach first identifies which sentences in a pool of documents retrieved by RAG are most relevant to the question at hand, cover all the topics addressed in the input question and no more, and then highlights these sentences within their context, before they are provided to the LLM, without truncating or altering the context in any other way. We show that this simple idea brings consistent improvements in experiments on three question answering tasks (ARC-Challenge, PubHealth and PopQA) using five different LLMs. It notably enhances relative accuracy by up to 19.7\% on PubHealth and 10\% on ARC-Challenge compared to a conventional RAG system.
Authors: Hongyi Chen, Jingtao Ding, Jianhai Shu, Xinchun Yu, Xiaojun Liang, Yong Li, Xiao-Ping Zhang
Abstract: Complex nonlinear system control faces challenges in achieving sample-efficient, reliable performance. While diffusion-based methods have demonstrated advantages over classical and reinforcement learning approaches in long-term control performance, they are limited by sample efficiency. This paper presents SEDC (Sample-Efficient Diffusion-based Control), a novel diffusion-based control framework addressing three core challenges: high-dimensional state-action spaces, nonlinear system dynamics, and the gap between non-optimal training data and near-optimal control solutions. Through three innovations - Decoupled State Diffusion, Dual-Mode Decomposition, and Guided Self-finetuning - SEDC achieves 39.5\%-49.4\% better control accuracy than baselines while using only 10\% of the training samples, as validated across three complex nonlinear dynamic systems. Our approach represents a significant advancement in sample-efficient control of complex nonlinear systems. The implementation of the code can be found at https://anonymous.4open.science/r/DIFOCON-C019.
Authors: Syed Jubayer Jaman, Md. Zahurul Haque, Md Robiul Islam, Usama Abdun Noor
Abstract: Currency recognition plays a vital role in banking, commerce, and assistive technology for visually impaired individuals. Traditional methods, such as manual verification and optical scanning, often suffer from limitations in accuracy and efficiency. This study introduces an advanced currency recognition system utilizing Convolutional Neural Networks (CNNs) to accurately classify Bangladeshi banknotes. A dataset comprising 50,334 images was collected, preprocessed, and used to train a CNN model optimized for high performance classification. The trained model achieved an accuracy of 98.5%, surpassing conventional image based currency recognition approaches. To enable real time and offline functionality, the model was converted into TensorFlow Lite format and integrated into an Android mobile application. The results highlight the effectiveness of deep learning in currency recognition, providing a fast, secure, and accessible solution that enhances financial transactions and assistive technologies.
Authors: Hongyi Chen, Jingtao Ding, Xiaojun Liang, Yong Li, Xiao-Ping Zhang
Abstract: The source localization problem in graph information propagation is crucial for managing various network disruptions, from misinformation spread to infrastructure failures. While recent deep generative approaches have shown promise in this domain, their effectiveness is limited by the scarcity of real-world propagation data. This paper introduces SIDSL (\textbf{S}tructure-prior \textbf{I}nformed \textbf{D}iffusion model for \textbf{S}ource \textbf{L}ocalization), a novel framework that addresses three key challenges in limited-data scenarios: unknown propagation patterns, complex topology-propagation relationships, and class imbalance between source and non-source nodes. SIDSL incorporates topology-aware priors through graph label propagation and employs a propagation-enhanced conditional denoiser with a GNN-parameterized label propagation module (GNN-LP). Additionally, we propose a structure-prior biased denoising scheme that initializes from structure-based source estimations rather than random noise, effectively countering class imbalance issues. Experimental results across four real-world datasets demonstrate SIDSL's superior performance, achieving 7.5-13.3% improvements in F1 scores compared to state-of-the-art methods. Notably, when pretrained with simulation data of synthetic patterns, SIDSL maintains robust performance with only 10% of training data, surpassing baselines by more than 18.8%. These results highlight SIDSL's effectiveness in real-world applications where labeled data is scarce.
Authors: Mingyuan Sun, Zheng Fang, Jiaxu Wang, Junjie Jiang, Delei Kong, Chenming Hu, Yuetong Fang, Renjing Xu
Abstract: The increasing complexity and parameter count of Convolutional Neural Networks (CNNs) and Transformers pose challenges in terms of computational efficiency and resource demands. Pruning has been identified as an effective strategy to address these challenges by removing redundant elements such as neurons, channels, or connections, thereby enhancing computational efficiency without heavily compromising performance. This paper builds on the foundational work of Optimal Brain Damage (OBD) by advancing the methodology of parameter importance estimation using the Hessian matrix. Unlike previous approaches that rely on approximations, we introduce Optimal Brain Apoptosis (OBA), a novel pruning method that calculates the Hessian-vector product value directly for each parameter. By decomposing the Hessian matrix across network layers and identifying conditions under which inter-layer Hessian submatrices are non-zero, we propose a highly efficient technique for computing the second-order Taylor expansion of parameters. This approach allows for a more precise pruning process, particularly in the context of CNNs and Transformers, as validated in our experiments including VGG19, ResNet32, ResNet50, and ViT-B/16 on CIFAR10, CIFAR100 and Imagenet datasets. Our code is available at https://github.com/NEU-REAL/OBA.
Authors: Varun Vashisht, Samar Singh, Mihir Konduskar, Jaskaran Singh Walia, Vukosi Marivate
Abstract: Due to the lack of quality data for low-resource Bantu languages, significant challenges are presented in text classification and other practical implementations. In this paper, we introduce an advanced model combining Language-Independent Data Augmentation (LiDA) with Multi-Head Attention based weighted embeddings to selectively enhance critical data points and improve text classification performance. This integration allows us to create robust data augmentation strategies that are effective across various linguistic contexts, ensuring that our model can handle the unique syntactic and semantic features of Bantu languages. This approach not only addresses the data scarcity issue but also sets a foundation for future research in low-resource language processing and classification tasks.
Authors: Derek Ho, Haotian Feng
Abstract: The widespread distribution of microplastics (MPs) in the environment presents significant challenges for their detection and identification. Fluorescence imaging has emerged as a promising technique for enhancing plastic particle detectability and enabling accurate classification based on fluorescence behavior. However, conventional segmentation techniques face limitations, including poor signal-to-noise ratio, inconsistent illumination, thresholding difficulties, and false positives from natural organic matter (NOM). To address these challenges, this study introduces the Fluorescence Imaging Microplastic Analysis Platform (FIMAP), a retrofitted multispectral camera with four optical filters and five excitation wavelengths. FIMAP enables comprehensive characterization of the fluorescence behavior of ten Nile Red-stained MPs: HDPE, LDPE, PP, PS, EPS, ABS, PVC, PC, PET, and PA, while effectively excluding NOM. Using K-means clustering for robust segmentation (Intersection over Union = 0.877) and a 20-dimensional color coordinate multivariate nearest neighbor approach for MP classification (>3.14 mm), FIMAP achieves 90% precision, 90% accuracy, 100% recall, and an F1 score of 94.7%. Only PS was occasionally misclassified as EPS. For smaller MPs (35-104 microns), classification accuracy declined, likely due to reduced stain sorption, fewer detectable pixels, and camera instability. Integrating FIMAP with higher-magnification instruments, such as a microscope, may enhance MP identification. This study presents FIMAP as an automated, high-throughput framework for detecting and classifying MPs across large environmental sample volumes.
Authors: Michele Fiori, Davide Mor, Gabriele Civitarese, Claudio Bettini
Abstract: Sensor-based Human Activity Recognition (HAR) in smart home environments is crucial for several applications, especially in the healthcare domain. The majority of the existing approaches leverage deep learning models. While these approaches are effective, the rationale behind their outputs is opaque. Recently, eXplainable Artificial Intelligence (XAI) approaches emerged to provide intuitive explanations to the output of HAR models. To the best of our knowledge, these approaches leverage classic deep models like CNNs or RNNs. Recently, Graph Neural Networks (GNNs) proved to be effective for sensor-based HAR. However, existing approaches are not designed with explainability in mind. In this work, we propose the first explainable Graph Neural Network explicitly designed for smart home HAR. Our results on two public datasets show that this approach provides better explanations than state-of-the-art methods while also slightly improving the recognition rate.
Authors: Joshua Sakthivel Raju, Sanjay S, Jaskaran Singh Walia, Srinivas Raghav, Vukosi Marivate
Abstract: Language model compression through knowledge distillation has emerged as a promising approach for deploying large language models in resource-constrained environments. However, existing methods often struggle to maintain performance when distilling multilingual models, especially for low-resource languages. In this paper, we present a novel hybrid distillation approach that combines traditional knowledge distillation with a simplified attention matching mechanism, specifically designed for multilingual contexts. Our method introduces an extremely compact student model architecture, significantly smaller than conventional multilingual models. We evaluate our approach on five African languages: Kinyarwanda, Swahili, Hausa, Igbo, and Yoruba. The distilled student model; AfroXLMR-Comet successfully captures both the output distribution and internal attention patterns of a larger teacher model (AfroXLMR-Large) while reducing the model size by over 85%. Experimental results demonstrate that our hybrid approach achieves competitive performance compared to the teacher model, maintaining an accuracy within 85% of the original model's performance while requiring substantially fewer computational resources. Our work provides a practical framework for deploying efficient multilingual models in resource-constrained environments, particularly benefiting applications involving African languages.
Authors: Huimin Yan, Xian Yang, Liang Bai, Jiye Liang
Abstract: Local alignment between medical images and text is essential for accurate diagnosis, though it remains challenging due to the absence of natural local pairings and the limitations of rigid region recognition methods. Traditional approaches rely on hard boundaries, which introduce uncertainty, whereas medical imaging demands flexible soft region recognition to handle irregular structures. To overcome these challenges, we propose the Progressive Local Alignment Network (PLAN), which designs a novel contrastive learning-based approach for local alignment to establish meaningful word-pixel relationships and introduces a progressive learning strategy to iteratively refine these relationships, enhancing alignment precision and robustness. By combining these techniques, PLAN effectively improves soft region recognition while suppressing noise interference. Extensive experiments on multiple medical datasets demonstrate that PLAN surpasses state-of-the-art methods in phrase grounding, image-text retrieval, object detection, and zero-shot classification, setting a new benchmark for medical image-text alignment.
Authors: Hengzhi He, Shirong Xu, Guang Cheng
Abstract: Recent studies identified an intriguing phenomenon in recursive generative model training known as model collapse, where models trained on data generated by previous models exhibit severe performance degradation. Addressing this issue and developing more effective training strategies have become central challenges in generative model research. In this paper, we investigate this phenomenon theoretically within a novel framework, where generative models are iteratively trained on a combination of newly collected real data and synthetic data from the previous training step. To develop an optimal training strategy for integrating real and synthetic data, we evaluate the performance of a weighted training scheme in various scenarios, including Gaussian distribution estimation and linear regression. We theoretically characterize the impact of the mixing proportion and weighting scheme of synthetic data on the final model's performance. Our key finding is that, across different settings, the optimal weighting scheme under different proportions of synthetic data asymptotically follows a unified expression, revealing a fundamental trade-off between leveraging synthetic data and generative model performance. Notably, in some cases, the optimal weight assigned to real data corresponds precisely to the reciprocal of the golden ratio. Finally, we validate our theoretical results on extensive simulated datasets and a real tabular dataset.
Authors: Ankita Raj, Deepankar Varma, Chetan Arora
Abstract: Foundation models (FMs) for computer vision learn rich and robust representations, enabling their adaptation to task/domain-specific deployments with little to no fine-tuning. However, we posit that the very same strength can make applications based on FMs vulnerable to model stealing attacks. Through empirical analysis, we reveal that models fine-tuned from FMs harbor heightened susceptibility to model stealing, compared to conventional vision architectures like ResNets. We hypothesize that this behavior is due to the comprehensive encoding of visual patterns and features learned by FMs during pre-training, which are accessible to both the attacker and the victim. We report that an attacker is able to obtain 94.28% agreement (matched predictions with victim) for a Vision Transformer based victim model (ViT-L/16) trained on CIFAR-10 dataset, compared to only 73.20% agreement for a ResNet-18 victim, when using ViT-L/16 as the thief model. We arguably show, for the first time, that utilizing FMs for downstream tasks may not be the best choice for deployment in commercial APIs due to their susceptibility to model theft. We thereby alert model owners towards the associated security risks, and highlight the need for robust security measures to safeguard such models against theft. Code is available at https://github.com/rajankita/foundation_model_stealing.
URLs: https://github.com/rajankita/foundation_model_stealing.
Authors: Ruslan Mukhamadiarov
Abstract: A properly designed controller can help improve the quality of experimental measurements or force a dynamical system to follow a completely new time-evolution path. Recent developments in deep reinforcement learning have made steep advances toward designing effective control schemes for fairly complex systems. However, a general simulation scheme that employs deep reinforcement learning for exerting control in stochastic systems is yet to be established. In this paper, we attempt to further bridge a gap between control theory and deep reinforcement learning by proposing a simulation algorithm that allows achieving control of the dynamics of stochastic systems through the use of trained artificial neural networks. Specifically, we use agent-based simulations where the neural network plays the role of the controller that drives local state-to-state transitions. We demonstrate the workflow and the effectiveness of the proposed control methods by considering the following two stochastic processes: particle coalescence on a lattice and a totally asymmetric exclusion process.
Authors: Yun Hao, Che Fan, Beilin Ye, Wenhao Lu, Zhen Lu, Peilin Zhao, Zhifeng Gao, Qingyao Wu, Yanhui Liu, Tongqi Wen
Abstract: Deep generative models hold great promise for inverse materials design, yet their efficiency and accuracy remain constrained by data scarcity and model architecture. Here, we introduce AlloyGAN, a closed-loop framework that integrates Large Language Model (LLM)-assisted text mining with Conditional Generative Adversarial Networks (CGANs) to enhance data diversity and improve inverse design. Taking alloy discovery as a case study, AlloyGAN systematically refines material candidates through iterative screening and experimental validation. For metallic glasses, the framework predicts thermodynamic properties with discrepancies of less than 8% from experiments, demonstrating its robustness. By bridging generative AI with domain knowledge and validation workflows, AlloyGAN offers a scalable approach to accelerate the discovery of materials with tailored properties, paving the way for broader applications in materials science.
Authors: Remi Genet
Abstract: The execution of Volume Weighted Average Price (VWAP) orders remains a critical challenge in modern financial markets, particularly as trading volumes and market complexity continue to increase. In my previous work arXiv:2502.13722, I introduced a novel deep learning approach that demonstrated significant improvements over traditional VWAP execution methods by directly optimizing the execution problem rather than relying on volume curve predictions. However, that model was static because it employed the fully linear approach described in arXiv:2410.21448, which is not designed for dynamic adjustment. This paper extends that foundation by developing a dynamic neural VWAP framework that adapts to evolving market conditions in real time. We introduce two key innovations: first, the integration of recurrent neural networks to capture complex temporal dependencies in market dynamics, and second, a sophisticated dynamic adjustment mechanism that continuously optimizes execution decisions based on market feedback. The empirical analysis, conducted across five major cryptocurrency markets, demonstrates that this dynamic approach achieves substantial improvements over both traditional methods and our previous static implementation, with execution performance gains of 10 to 15% in liquid markets and consistent outperformance across varying conditions. These results suggest that adaptive neural architectures can effectively address the challenges of modern VWAP execution while maintaining computational efficiency suitable for practical deployment.
Authors: Yi Li, Wai Ming Tai
Abstract: The active regression problem of the single-index model is to solve $\min_x \lVert f(Ax)-b\rVert_p$, where $A$ is fully accessible and $b$ can only be accessed via entry queries, with the goal of minimizing the number of queries to the entries of $b$. When $f$ is Lipschitz, previous results only obtain constant-factor approximations. This work presents the first algorithm that provides a $(1+\varepsilon)$-approximation solution by querying $\tilde{O}(d^{\frac{p}{2}\vee 1}/\varepsilon^{p\vee 2})$ entries of $b$. This query complexity is also shown to be optimal up to logarithmic factors for $p\in [1,2]$ and the $\varepsilon$-dependence of $1/\varepsilon^p$ is shown to be optimal for $p>2$.
Authors: Veit Wild, James Wu, Dino Sejdinovic, Jeremias Knoblauch
Abstract: We propose a scalable inference algorithm for Bayes posteriors defined on a reproducing kernel Hilbert space (RKHS). Given a likelihood function and a Gaussian random element representing the prior, the corresponding Bayes posterior measure $\Pi_{\text{B}}$ can be obtained as the stationary distribution of an RKHS-valued Langevin diffusion. We approximate the infinite-dimensional Langevin diffusion via a projection onto the first $M$ components of the Kosambi-Karhunen-Lo\`eve expansion. Exploiting the thus obtained approximate posterior for these $M$ components, we perform inference for $\Pi_{\text{B}}$ by relying on the law of total probability and a sufficiency assumption. The resulting method scales as $O(M^3+JM^2)$, where $J$ is the number of samples produced from the posterior measure $\Pi_{\text{B}}$. Interestingly, the algorithm recovers the posterior arising from the sparse variational Gaussian process (SVGP) (see Titsias, 2009) as a special case, owed to the fact that the sufficiency assumption underlies both methods. However, whereas the SVGP is parametrically constrained to be a Gaussian process, our method is based on a non-parametric variational family $\mathcal{P}(\mathbb{R}^M)$ consisting of all probability measures on $\mathbb{R}^M$. As a result, our method is provably close to the optimal $M$-dimensional variational approximation of the Bayes posterior $\Pi_{\text{B}}$ in $\mathcal{P}(\mathbb{R}^M)$ for convex and Lipschitz continuous negative log likelihoods, and coincides with SVGP for the special case of a Gaussian error likelihood.
Authors: Zonghao Chen, Masha Naslidnyk, Fran\c{c}ois-Xavier Briol
Abstract: This paper considers the challenging computational task of estimating nested expectations. Existing algorithms, such as nested Monte Carlo or multilevel Monte Carlo, are known to be consistent but require a large number of samples at both inner and outer levels to converge. Instead, we propose a novel estimator consisting of nested kernel quadrature estimators and we prove that it has a faster convergence rate than all baseline methods when the integrands have sufficient smoothness. We then demonstrate empirically that our proposed method does indeed require fewer samples to estimate nested expectations on real-world applications including Bayesian optimisation, option pricing, and health economics.
Authors: Zenghui Chang, Yiqiao Zhang, Hong Cai Chen
Abstract: Graph similarity learning, crucial for tasks such as graph classification and similarity search, focuses on measuring the similarity between two graph-structured entities. The core challenge in this field is effectively managing the interactions between graphs. Traditional methods often entail separate, redundant computations for each graph pair, leading to unnecessary complexity. This paper revolutionizes the approach by introducing a parallel graph interaction method called graph fusion. By merging the node sequences of graph pairs into a single large graph, our method leverages a global attention mechanism to facilitate interaction computations and to harvest cross-graph insights. We further assess the similarity between graph pairs at two distinct levels-graph-level and node-level-introducing two innovative, yet straightforward, similarity computation algorithms. Extensive testing across five public datasets shows that our model not only outperforms leading baseline models in graph-to-graph classification and regression tasks but also sets a new benchmark for performance and efficiency. The code for this paper is open-source and available at https://github.com/LLiRarry/GFM-code.git
Authors: Adolfo Ruiz-Sanmart\'in, Vicent Ribas, David Su\~nol, Luis Chiscano-Cam\'on, Laura Mart\'in, Iv\'an Baja\~na, Juliana Bastida, Nieves Larrosa, Juan Jos\'e Gonz\'alez, M Dolores Carrasco, N\'uria Canela, Ricard Ferrer, Juan Carlos Ruiz-Rodr\'igue
Abstract: Background: The search for new biomarkers that allow an early diagnosis in sepsis has become a necessity in medicine. The objective of this study is to identify potential protein biomarkers of differential expression between sepsis and non-infectious systemic inflammatory response syndrome (NISIRS). Methods: Prospective observational study of a cohort of septic patients activated by the Sepsis Code and patients admitted with NISIRS, during the period 2016-2017. A mass spectrometry-based approach was used to analyze the plasma proteins in the enrolled subjects. Subsequently, using recursive feature elimination (RFE) classification and cross-validation with a vector classifier, an association of these proteins in patients with sepsis compared to patients with NISIRS. The protein-protein interaction network was analyzed with String software. Results: A total of 277 patients (141 with sepsis and 136 with NISIRS) were included. After performing RFE, 25 proteins in the study patient cohort showed statistical significance, with an accuracy of 0.960, specificity of 0.920, sensitivity of 0.973, and an AUC of 0.985. Of these, 14 proteins (vWF, PPBP, C5, C1RL, FCN3, SAA2, ORM1, ITIH3, GSN, C1QA, CA1, CFB, C3, LBP) have a greater relationship with sepsis while 11 proteins (FN1, IGFALS, SERPINA4, APOE, APOH, C6, SERPINA3, AHSG, LUM, ITIH2, SAA1) are more expressed in NISIRS.
Authors: Henrique Musseli Cezar, Tilmann Bodenstein, Henrik Andersen Sveinsson, Morten Ledum, Simen Reine, Sigbj{\o}rn L{\o}land Bore
Abstract: Adversarial approaches, which intentionally challenge machine learning models by generating difficult examples, are increasingly being adopted to improve machine learning interatomic potentials (MLIPs). While already providing great practical value, little is known about the actual prediction errors of MLIPs on adversarial structures and whether these errors can be controlled. We propose the Calibrated Adversarial Geometry Optimization (CAGO) algorithm to discover adversarial structures with user-assigned errors. Through uncertainty calibration, the estimated uncertainty of MLIPs is unified with real errors. By performing geometry optimization for calibrated uncertainty, we reach adversarial structures with the user-assigned target MLIP prediction error. Integrating with active learning pipelines, we benchmark CAGO, demonstrating stable MLIPs that systematically converge structural, dynamical, and thermodynamical properties for liquid water and water adsorption in a metal-organic framework within only hundreds of training structures, where previously many thousands were typically required.
Authors: Sirisha Velampalli, Chandrashekar Muniyappa
Abstract: The extraction of information from semi-structured text, such as resumes, has long been a challenge due to the diverse formatting styles and subjective content organization. Conventional solutions rely on specialized logic tailored for specific use cases. However, we propose a revolutionary approach leveraging structured Graphs, Natural Language Processing (NLP), and Deep Learning. By abstracting intricate logic into Graph structures, we transform raw data into a comprehensive Knowledge Graph. This innovative framework enables precise information extraction and sophisticated querying. We systematically construct dictionaries assigning skill weights, paving the way for nuanced talent analysis. Our system not only benefits job recruiters and curriculum designers but also empowers job seekers with targeted query-based filtering and ranking capabilities.
Authors: Leonardo Saraceni, Ionut Marian Motoi, Daniele Nardi, Thomas Alessandro Ciarfuglia
Abstract: In precision agriculture, the scarcity of labeled data and significant covariate shifts pose unique challenges for training machine learning models. This scarcity is particularly problematic due to the dynamic nature of the environment and the evolving appearance of agricultural subjects as living things. We propose a novel system for generating realistic synthetic data to address these challenges. Utilizing a vineyard simulator based on the Unity engine, our system employs a cut-and-paste technique with geometrical consistency considerations to produce accurate photo-realistic images and labels from synthetic environments to train detection algorithms. This approach generates diverse data samples across various viewpoints and lighting conditions. We demonstrate considerable performance improvements in training a state-of-the-art detector by applying our method to table grapes cultivation. The combination of techniques can be easily automated, an increasingly important consideration for adoption in agricultural practice.
Authors: Rylan Schaeffer, Punit Singh Koura, Binh Tang, Ranjan Subramanian, Aaditya K Singh, Todor Mihaylov, Prajjwal Bhargava, Lovish Madaan, Niladri S. Chatterji, Vedanuj Goswami, Sergey Edunov, Dieuwke Hupkes, Sanmi Koyejo, Sharan Narang
Abstract: The explosion of high-performing conversational language models (LMs) has spurred a shift from classic natural language processing (NLP) benchmarks to expensive, time-consuming and noisy human evaluations - yet the relationship between these two evaluation strategies remains hazy. In this paper, we conduct a large-scale study of four Chat Llama 2 models, comparing their performance on 160 standard NLP benchmarks (e.g., MMLU, ARC, BIG-Bench Hard) against extensive human preferences on more than 11k single-turn and 2k multi-turn dialogues from over 2k human annotators. Our findings are striking: most NLP benchmarks strongly correlate with human evaluations, suggesting that cheaper, automated metrics can serve as surprisingly reliable predictors of human preferences. Three human evaluations, such as adversarial dishonesty and safety, are anticorrelated with NLP benchmarks, while two are uncorrelated. Moreover, through overparameterized linear regressions, we show that NLP scores can accurately predict human evaluations across different model scales, offering a path to reduce costly human annotation without sacrificing rigor. Overall, our results affirm the continued value of classic benchmarks and illuminate how to harness them to anticipate real-world user satisfaction - pointing to how NLP benchmarks can be leveraged to meet evaluation needs of our new era of conversational AI.
Authors: Junhyun Lee, Harshith Goka, Hyeonmok Ko
Abstract: Hallucination refers to the inaccurate, irrelevant, and inconsistent text generated from large language models (LLMs). While the LLMs have shown great promise in a variety of tasks, the issue of hallucination still remains a major challenge for many practical uses. In this paper, we tackle the issue of hallucination in abstract text summarization by mitigating exposure bias. Existing models targeted for exposure bias mitigation, namely BRIO, aim for better summarization quality in the ROUGE score. We propose a model that uses a similar exposure bias mitigation strategy but with a goal that is aligned with less hallucination. We conjecture that among a group of candidate outputs, ones with hallucinations will comprise the minority of the whole group. That is, candidates with less similarity with others will have a higher chance of containing hallucinated content. Our method uses this aspect and utilizes contrastive learning, incentivizing candidates with high inter-candidate ROUGE scores. We performed experiments on the XSum and CNN/DM summarization datasets, and our method showed 6.25% and 3.82% improvement, respectively, on the consistency G-Eval score over BRIO.
Authors: Huck Bennett, Mitchell Black, Amir Nayyeri, Evelyn Warton
Abstract: The goal of graph inference is to design algorithms for learning properties of a hidden graph using queries to an oracle that returns information about the graph. Graph reconstruction, verification, and property testing are all types of graph inference. In this work, we study graph inference using an oracle that returns the effective resistance (ER) between a pair of vertices. Effective resistance is a distance originating from the study of electrical circuits with many applications. However, ER has received little attention from a graph inference perspective. Indeed, although it is known that an $n$-vertex graph can be uniquely reconstructed from all $\binom{n}{2}$ possible ER queries, little else is known. We address this gap with several new results, including: 1. $O(n)$-query algorithms for testing whether a graph is a tree; deciding whether two graphs are equal assuming one is a subgraph of the other; and testing whether a given vertex (or edge) is a cut vertex (or cut edge). 2. Property testing algorithms, including for testing whether a graph is vertex- or edge-biconnected. We also give a reduction to adapt property testing results from the bounded-degree model to our ER query model. This yields ER-query-based algorithms for testing $k$-connectivity, bipartiteness, planarity, and containment of a fixed subgraph. 3. Graph reconstruction algorithms, including an algorithm for reconstructing a graph from a low-width tree decomposition; a $\Theta(k^2)$-query, polynomial-time algorithm for recovering the adjacency matrix $A$ of a hidden graph, given $A$ with $k$ of its entries deleted; and a $k$-query, exponential-time algorithm for the same task. We also compare the power of ER queries and shortest path queries, which are closely related but better studied. Interestingly, we show that the two query models are incomparable in power.
Authors: Zihao Li, Ruixiang Tang, Lu Cheng, Shuaiqiang Wang, Dawei Yin, Mengnan Du
Abstract: Pre-trained language models (PLMs) have achieved impressive results on various natural language processing tasks. However, recent research has revealed that these models often rely on superficial features and shortcuts instead of developing a genuine understanding of language, especially for natural language understanding (NLU) tasks. Consequently, the models struggle to generalize to out-of-domain data. In this work, we propose Divergence Based Regularization (DBR) to mitigate this shortcut learning behavior. Our method measures the divergence between the output distributions for original examples and examples where shortcut tokens have been masked. This process prevents the model's predictions from being overly influenced by shortcut features or biases. We evaluate our model on three NLU tasks and find that it improves out-of-domain performance with little loss of in-domain accuracy. Our results demonstrate that reducing the reliance on shortcuts and superficial features can enhance the generalization ability of large pre-trained language models.
Authors: Dominik Hollidt, Paul Streli, Jiaxi Jiang, Yasaman Haghighi, Changlin Qian, Xintong Liu, Christian Holz
Abstract: Research on egocentric tasks in computer vision has mostly focused on head-mounted cameras, such as fisheye cameras or embedded cameras inside immersive headsets. We argue that the increasing miniaturization of optical sensors will lead to the prolific integration of cameras into many more body-worn devices at various locations. This will bring fresh perspectives to established tasks in computer vision and benefit key areas such as human motion tracking, body pose estimation, or action recognition -- particularly for the lower body, which is typically occluded. In this paper, we introduce EgoSim, a novel simulator of body-worn cameras that generates realistic egocentric renderings from multiple perspectives across a wearer's body. A key feature of EgoSim is its use of real motion capture data to render motion artifacts, which are especially noticeable with arm- or leg-worn cameras. In addition, we introduce MultiEgoView, a dataset of egocentric footage from six body-worn cameras and ground-truth full-body 3D poses during several activities: 119 hours of data are derived from AMASS motion sequences in four high-fidelity virtual environments, which we augment with 5 hours of real-world motion data from 13 participants using six GoPro cameras and 3D body pose references from an Xsens motion capture suit. We demonstrate EgoSim's effectiveness by training an end-to-end video-only 3D pose estimation network. Analyzing its domain gap, we show that our dataset and simulator substantially aid training for inference on real-world data. EgoSim code & MultiEgoView dataset: https://siplab.org/projects/EgoSim
Authors: Namiko Matsumoto, Arya Mazumdar
Abstract: In statistics, generalized linear models (GLMs) are widely used for modeling data and can expressively capture potential nonlinear dependence of the model's outcomes on its covariates. Within the broad family of GLMs, those with binary outcomes, which include logistic and probit regressions, are motivated by common tasks such as binary classification with (possibly) non-separable data. In addition, in modern machine learning and statistics, data is often high-dimensional yet has a low intrinsic dimension, making sparsity constraints in models another reasonable consideration. In this work, we propose to use and analyze an iterative hard thresholding (projected gradient descent on the ReLU loss) algorithm, called binary iterative hard thresholding (BIHT), for parameter estimation in sparse GLMs with binary outcomes. We establish that BIHT is statistically efficient and converges to the correct solution for parameter estimation in a general class of sparse binary GLMs. Unlike many other methods for learning GLMs, including maximum likelihood estimation, generalized approximate message passing, and GLM-tron (Kakade et al. 2011; Bahmani et al. 2016), BIHT does not require knowledge of the GLM's link function, offering flexibility and generality in allowing the algorithm to learn arbitrary binary GLMs. As two applications, logistic and probit regression are additionally studied. In this regard, it is shown that in logistic regression, the algorithm is in fact statistically optimal in the sense that the order-wise sample complexity matches (up to logarithmic factors) the lower bound obtained previously. To the best of our knowledge, this is the first work achieving statistical optimality for logistic regression in all noise regimes with a computationally efficient algorithm. Moreover, for probit regression, our sample complexity is on the same order as that obtained for logistic regression.
Authors: Jaron Maene, Luc De Raedt
Abstract: Algebraic model counting unifies many inference tasks on logic formulas by exploiting semirings. Rather than focusing on inference, we consider learning, especially in statistical-relational and neurosymbolic AI, which combine logical, probabilistic and neural representations. Concretely, we show that the very same semiring perspective of algebraic model counting also applies to learning. This allows us to unify various learning algorithms by generalizing gradients and backpropagation to different semirings. Furthermore, we show how cancellation and ordering properties of a semiring can be exploited for more memory-efficient backpropagation. This allows us to obtain some interesting variations of state-of-the-art gradient-based optimisation methods for probabilistic logical models. We also discuss why algebraic model counting on tractable circuits does not lead to more efficient second-order optimization. Empirically, our algebraic backpropagation exhibits considerable speed-ups as compared to existing approaches.
Authors: Yu Xia, Jingru Fan, Weize Chen, Siyu Yan, Xin Cong, Zhong Zhang, Yaxi Lu, Yankai Lin, Zhiyuan Liu, Maosong Sun
Abstract: Existing LLM-based agents have achieved strong performance on held-in tasks, but their generalizability to unseen tasks remains poor. Hence, some recent work focus on fine-tuning the policy model with more diverse tasks to improve the generalizability. In this work, we find that finetuning a reward model to guide the policy model is more robust than directly finetuning the policy model. Based on this finding, we propose AgentRM, a generalizable reward model, to guide the policy model for effective test-time search. We comprehensively investigate three approaches to construct the reward model, including explicit reward modeling, implicit reward modeling and LLM-as-a-judge. We then use AgentRM to guide the answer generation with Best-of-N sampling and step-level beam search. On four types of nine agent tasks, AgentRM enhances the base policy model by $8.8$ points on average, surpassing the top general agent by $4.0$. Moreover, it demonstrates weak-to-strong generalization, yielding greater improvement of $12.6$ on LLaMA-3-70B policy model. As for the specializability, AgentRM can also boost a finetuned policy model and outperform the top specialized agent by $11.4$ on three held-in tasks. Further analysis verifies its effectiveness in test-time scaling. Codes will be released to facilitate the research in this area.
Authors: Henry Peng Zou, Siffi Singh, Yi Nian, Jianfeng He, Jason Cai, Saab Mansour, Hang Su
Abstract: Generalized Category Discovery (GCD) is a practical and challenging open-world task that aims to recognize both known and novel categories in unlabeled data using limited labeled data from known categories. Due to the lack of supervision, previous GCD methods face significant challenges, such as difficulty in rectifying errors for confusing instances, and inability to effectively uncover and leverage the semantic meanings of discovered clusters. Therefore, additional annotations are usually required for real-world applicability. However, human annotation is extremely costly and inefficient. To address these issues, we propose GLEAN, a unified framework for generalized category discovery that actively learns from diverse and quality-enhanced LLM feedback. Our approach leverages three different types of LLM feedback to: (1) improve instance-level contrastive features, (2) generate category descriptions, and (3) align uncertain instances with LLM-selected category descriptions. Extensive experiments demonstrate the superior performance of \MethodName over state-of-the-art models across diverse datasets, metrics, and supervision settings. Our code is available at https://github.com/amazon-science/Glean.
Authors: Orion Weller, Kathryn Ricci, Eugene Yang, Andrew Yates, Dawn Lawrie, Benjamin Van Durme
Abstract: We introduce Rank1, the first reranking model trained to take advantage of test-time compute. Rank1 demonstrates the applicability within retrieval of using a reasoning language model (i.e. OpenAI's o1, Deepseek's R1, etc.) for distillation in order to rapidly improve the performance of a smaller model. We gather and open-source a dataset of more than 600,000 examples of R1 reasoning traces from queries and passages in MS MARCO. Models trained on this dataset show: (1) state-of-the-art performance on advanced reasoning and instruction following datasets; (2) work remarkably well out of distribution due to the ability to respond to user-input prompts; and (3) have explainable reasoning chains that can be given to users or RAG-based systems. Further, we demonstrate that quantized versions of these models retain strong performance while using less compute/memory. Overall, Rank1 shows that test-time compute allows for a fundamentally new type of explainable and performant reranker model for search.
Authors: Alice Guionnet, Vanessa Piccolo
Abstract: We study the asymptotic spectral behavior of the conjugate kernel random matrix $YY^\top$, where $Y= f(WX)$ arises from a two-layer neural network model. We consider the setting where $W$ and $X$ are both random rectangular matrices with i.i.d. entries, where the entries of $W$ follow a heavy-tailed distribution, while those of $X$ have light tails. Our assumptions on $W$ include a broad class of heavy-tailed distributions, such as symmetric $\alpha$-stable laws with $\alpha \in (0,2)$ and sparse matrices with $\mathcal{O}(1)$ nonzero entries per row. The activation function $f$, applied entrywise, is nonlinear, smooth, and odd. By computing the eigenvalue distribution of $YY^\top$ through its moments, we show that heavy-tailed weights induce strong correlations between the entries of $Y$, leading to richer and fundamentally different spectral behavior compared to models with light-tailed weights.
Authors: Yizhe Zhang, Richard Bai, Zijin Gu, Ruixiang Zhang, Jiatao Gu, Emmanuel Abbe, Samy Bengio, Navdeep Jaitly
Abstract: Language models usually use left-to-right (L2R) autoregressive factorization. However, L2R factorization may not always be the best inductive bias. Therefore, we investigate whether alternative factorizations of the text distribution could be beneficial in some tasks. We investigate right-to-left (R2L) training as a compelling alternative, focusing on multiple-choice questions (MCQs) as a test bed for knowledge extraction and reasoning. Through extensive experiments across various model sizes (2B-8B parameters) and training datasets, we find that R2L models can significantly outperform L2R models on several MCQ benchmarks, including logical reasoning, commonsense understanding, and truthfulness assessment tasks. Our analysis reveals that this performance difference may be fundamentally linked to multiple factors including calibration, computability and directional conditional entropy. We ablate the impact of these factors through controlled simulation studies using arithmetic tasks, where the impacting factors can be better disentangled. Our work demonstrates that exploring alternative factorizations of the text distribution can lead to improvements in LLM capabilities and provides theoretical insights into optimal factorization towards approximating human language distribution, and when each reasoning order might be more advantageous.
Authors: Pedro Sequeira, Vidyasagar Sadhu, Melinda Gervasio
Abstract: In this paper we present ToMCAT (Theory-of-Mind for Cooperative Agents in Teams), a new framework for generating ToM-conditioned trajectories. It combines a meta-learning mechanism, that performs ToM reasoning over teammates' underlying goals and future behavior, with a multiagent denoising-diffusion model, that generates plans for an agent and its teammates conditioned on both the agent's goals and its teammates' characteristics, as computed via ToM. We implemented an online planning system that dynamically samples new trajectories (replans) from the diffusion model whenever it detects a divergence between a previously generated plan and the current state of the world. We conducted several experiments using ToMCAT in a simulated cooking domain. Our results highlight the importance of the dynamic replanning mechanism in reducing the usage of resources without sacrificing team performance. We also show that recent observations about the world and teammates' behavior collected by an agent over the course of an episode combined with ToM inferences are crucial to generate team-aware plans for dynamic adaptation to teammates, especially when no prior information is provided about them.
Authors: Christian Schindler, Andreas Rausch
Abstract: Detecting design pattern instances in unfamiliar codebases remains a challenging yet essential task for improving software quality and maintainability. Traditional static analysis tools often struggle with the complexity, variability, and lack of explicit annotations that characterize real-world pattern implementations. In this paper, we present a novel approach leveraging Large Language Models to automatically identify design pattern instances across diverse codebases. Our method focuses on recognizing the roles classes play within the pattern instances. By providing clearer insights into software structure and intent, this research aims to support developers, improve comprehension, and streamline tasks such as refactoring, maintenance, and adherence to best practices.
Authors: Liang Yan, Gengchen Wei, Chen Yang, Shengzhong Zhang, Zengfeng Huang
Abstract: This paper introduces a new approach to address the issue of class imbalance in graph neural networks (GNNs) for learning on graph-structured data. Our approach integrates imbalanced node classification and Bias-Variance Decomposition, establishing a theoretical framework that closely relates data imbalance to model variance. We also leverage graph augmentation technique to estimate the variance, and design a regularization term to alleviate the impact of imbalance. Exhaustive tests are conducted on multiple benchmarks, including naturally imbalanced datasets and public-split class-imbalanced datasets, demonstrating that our approach outperforms state-of-the-art methods in various imbalanced scenarios. This work provides a novel theoretical perspective for addressing the problem of imbalanced node classification in GNNs.
Authors: Zhijun Zeng, Pipi Hu, Chenglong Bao, Yi Zhu, Zuoqiang Shi
Abstract: In this paper, we study the method to reconstruct dynamical systems from data without time labels. Data without time labels appear in many applications, such as molecular dynamics, single-cell RNA sequencing etc. Reconstruction of dynamical system from time sequence data has been studied extensively. However, these methods do not apply if time labels are unknown. Without time labels, sequence data becomes distribution data. Based on this observation, we propose to treat the data as samples from a probability distribution and try to reconstruct the underlying dynamical system by minimizing the distribution loss, sliced Wasserstein distance more specifically. Extensive experiment results demonstrate the effectiveness of the proposed method.
Authors: Dehua Peng, Zhipeng Gui, Jie Gui, Huayi Wu
Abstract: Boundary point detection aims to outline the external contour structure of clusters and enhance the inter-cluster discrimination, thus bolstering the performance of the downstream classification and clustering tasks. However, existing boundary point detectors are sensitive to density heterogeneity or cannot identify boundary points in concave structures and high-dimensional manifolds. In this work, we propose a robust and efficient boundary point detection method based on Local Direction Dispersion (LoDD). The core of boundary point detection lies in measuring the difference between boundary points and internal points. It is a common observation that an internal point is surrounded by its neighbors in all directions, while the neighbors of a boundary point tend to be distributed only in a certain directional range. By considering this observation, we adopt density-independent K-Nearest Neighbors (KNN) method to determine neighboring points and design a centrality metric LoDD using the eigenvalues of the covariance matrix to depict the distribution uniformity of KNN. We also develop a grid-structure assumption of data distribution to determine the parameters adaptively. The effectiveness of LoDD is demonstrated on synthetic datasets, real-world benchmarks, and application of training set split for deep learning model and hole detection on point cloud data. The datasets and toolkit are available at: https://github.com/ZPGuiGroupWhu/lodd.
Authors: Xin Ding, Xiaoyu Liu, Zhijun Tu, Yun Zhang, Wei Li, Jie Hu, Hanting Chen, Yehui Tang, Zhiwei Xiong, Baoqun Yin, Yunhe Wang
Abstract: Post-training quantization (PTQ) has played a key role in compressing large language models (LLMs) with ultra-low costs. However, existing PTQ methods only focus on handling the outliers within one layer or one block, which ignores the dependency of blocks and leads to severe performance degradation in low-bit settings. In this paper, we propose CBQ, a cross-block reconstruction-based PTQ method for LLMs. CBQ employs a cross-block dependency using a homologous reconstruction scheme, establishing long-range dependencies across multiple blocks to minimize error accumulation. Furthermore, CBQ incorporates a coarse-to-fine preprocessing (CFP) strategy for suppressing weight and activation outliers, coupled with an adaptive LoRA-Rounding technique for precise weight quantization. These innovations enable CBQ to not only handle extreme outliers effectively but also improve overall quantization accuracy. Extensive experiments show that CBQ achieves superior low-bit quantization (W4A4, W4A8, W2A16) and outperforms existing state-of-the-art methods across various LLMs and datasets. Notably, CBQ quantizes the 4-bit LLAMA1-65B model within only 4.3 hours on a single GPU, achieving a commendable tradeoff between performance and quantization efficiency.
Authors: Martin Hanik, Gabriele Steidl, Christoph von Tycowicz
Abstract: We propose two graph neural network layers for graphs with features in a Riemannian manifold. First, based on a manifold-valued graph diffusion equation, we construct a diffusion layer that can be applied to an arbitrary number of nodes and graph connectivity patterns. Second, we model a tangent multilayer perceptron by transferring ideas from the vector neuron framework to our general setting. Both layers are equivariant under node permutations and the feature manifold's isometries. These properties have led to a beneficial inductive bias in many deep-learning tasks. Numerical examples on synthetic data and an Alzheimer's classification application on triangle meshes of the right hippocampus demonstrate the usefulness of our new layers: While they apply to a much broader class of problems, they perform as well as or better than task-specific state-of-the-art networks.
Authors: Sanjeev Raja, Ishan Amin, Fabian Pedregosa, Aditi S. Krishnapriyan
Abstract: Machine learning force fields (MLFFs) are an attractive alternative to ab-initio methods for molecular dynamics (MD) simulations. However, they can produce unstable simulations, limiting their ability to model phenomena occurring over longer timescales and compromising the quality of estimated observables. To address these challenges, we present Stability-Aware Boltzmann Estimator (StABlE) Training, a multi-modal training procedure which leverages joint supervision from reference quantum-mechanical calculations and system observables. StABlE Training iteratively runs many MD simulations in parallel to seek out unstable regions, and corrects the instabilities via supervision with a reference observable. We achieve efficient end-to-end automatic differentiation through MD simulations using our Boltzmann Estimator, a generalization of implicit differentiation techniques to a broader class of stochastic algorithms. Unlike existing techniques based on active learning, our approach requires no additional ab-initio energy and forces calculations to correct instabilities. We demonstrate our methodology across organic molecules, tetrapeptides, and condensed phase systems, using three modern MLFF architectures. StABlE-trained models achieve significant improvements in simulation stability, data efficiency, and agreement with reference observables. The stability improvements cannot be matched by reducing the simulation timestep; thus, StABlE Training effectively allows for larger timesteps. By incorporating observables into the training process alongside first-principles calculations, StABlE Training can be viewed as a general semi-empirical framework applicable across MLFF architectures and systems. This makes it a powerful tool for training stable and accurate MLFFs, particularly in the absence of large reference datasets. Our code is available at https://github.com/ASK-Berkeley/StABlE-Training.
Authors: Michael Sucker, Jalal Fadili, Peter Ochs
Abstract: We use the PAC-Bayesian theory for the setting of learning-to-optimize. To the best of our knowledge, we present the first framework to learn optimization algorithms with provable generalization guarantees (PAC-Bayesian bounds) and explicit trade-off between convergence guarantees and convergence speed, which contrasts with the typical worst-case analysis. Our learned optimization algorithms provably outperform related ones derived from a (deterministic) worst-case analysis. The results rely on PAC-Bayesian bounds for general, possibly unbounded loss-functions based on exponential families. Then, we reformulate the learning procedure into a one-dimensional minimization problem and study the possibility to find a global minimum. Furthermore, we provide a concrete algorithmic realization of the framework and new methodologies for learning-to-optimize, and we conduct four practically relevant experiments to support our theory. With this, we showcase that the provided learning framework yields optimization algorithms that provably outperform the state-of-the-art by orders of magnitude.
Authors: Mateusz Gajewski, Adam Karczmarz, Mateusz Rapicki, Piotr Sankowski
Abstract: In this paper, we consider a perturbation-based metric of predictive faithfulness of feature rankings (or attributions) that we call PGI squared. When applied to decision tree-based regression models, the metric can be computed accurately and efficiently for arbitrary independent feature perturbation distributions. In particular, the computation does not involve Monte Carlo sampling that has been typically used for computing similar metrics and which is inherently prone to inaccuracies. Moreover, we propose a method of ranking features by their importance for the tree model's predictions based on PGI squared. Our experiments indicate that in some respects, the method may identify the globally important features better than the state-of-the-art SHAP explainer
Authors: Ayush Sawarni, Nirjhar Das, Siddharth Barman, Gaurav Sinha
Abstract: We study the generalized linear contextual bandit problem within the constraints of limited adaptivity. In this paper, we present two algorithms, $\texttt{B-GLinCB}$ and $\texttt{RS-GLinCB}$, that address, respectively, two prevalent limited adaptivity settings. Given a budget $M$ on the number of policy updates, in the first setting, the algorithm needs to decide upfront $M$ rounds at which it will update its policy, while in the second setting it can adaptively perform $M$ policy updates during its course. For the first setting, we design an algorithm $\texttt{B-GLinCB}$, that incurs $\tilde{O}(\sqrt{T})$ regret when $M = \Omega( \log{\log T} )$ and the arm feature vectors are generated stochastically. For the second setting, we design an algorithm $\texttt{RS-GLinCB}$ that updates its policy $\tilde{O}(\log^2 T)$ times and achieves a regret of $\tilde{O}(\sqrt{T})$ even when the arm feature vectors are adversarially generated. Notably, in these bounds, we manage to eliminate the dependence on a key instance dependent parameter $\kappa$, that captures non-linearity of the underlying reward model. Our novel approach for removing this dependence for generalized linear contextual bandits might be of independent interest.
Authors: Alexey Gorbatovski, Boris Shaposhnikov, Alexey Malakhov, Nikita Surnachev, Yaroslav Aksenov, Ian Maksimov, Nikita Balagansky, Daniil Gavrilov
Abstract: Despite the fact that offline methods for Large Language Models (LLMs) alignment do not require a direct reward model, they remain susceptible to overoptimization. This issue arises when the trained model deviates excessively from the reference policy, leading to a decrease in sample quality. We propose a new paradigm of offline alignment methods, called Trust Region (including variants TR-DPO, TR-IPO, TR-KTO), which dynamically updates the reference policy throughout the training process. Our results show that TR alignment methods effectively mitigate overoptimization, enabling models to maintain strong performance even when substantially deviating from the initial reference policy. We demonstrate the efficacy of these approaches not only through toy examples that exhibit reduced overoptimization, but also through direct, side-by-side comparisons in specific tasks such as helpful and harmless dialogue, as well as summarization, where they surpass conventional methods. Additionally, we report significant improvements in general-purpose assistant setups with the Llama3 model on the AlpacaEval 2 and Arena-Hard benchmarks, highlighting the advantages of Trust Region methods over classical approaches.
Authors: Jiuqi Wang, Ethan Blaser, Hadi Daneshmand, Shangtong Zhang
Abstract: Traditionally, reinforcement learning (RL) agents learn to solve new tasks by updating their neural network parameters through interactions with the task environment. However, recent works demonstrate that some RL agents, after certain pretraining procedures, can learn to solve unseen new tasks without parameter updates, a phenomenon known as in-context reinforcement learning (ICRL). The empirical success of ICRL is widely attributed to the hypothesis that the forward pass of the pretrained agent neural network implements an RL algorithm. In this paper, we support this hypothesis by showing, both empirically and theoretically, that when a transformer is trained for policy evaluation tasks, it can discover and learn to implement temporal difference learning in its forward pass.
Authors: Cornelius Emde, Francesco Pinto, Thomas Lukasiewicz, Philip H. S. Torr, Adel Bibi
Abstract: Since neural classifiers are known to be sensitive to adversarial perturbations that alter their accuracy, \textit{certification methods} have been developed to provide provable guarantees on the insensitivity of their predictions to such perturbations. Furthermore, in safety-critical applications, the frequentist interpretation of the confidence of a classifier (also known as model calibration) can be of utmost importance. This property can be measured via the Brier score or the expected calibration error. We show that attacks can significantly harm calibration, and thus propose certified calibration as worst-case bounds on calibration under adversarial perturbations. Specifically, we produce analytic bounds for the Brier score and approximate bounds via the solution of a mixed-integer program on the expected calibration error. Finally, we propose novel calibration attacks and demonstrate how they can improve model calibration through \textit{adversarial calibration training}.
Authors: Zhuowei Li, Zihao Xu, Ligong Han, Yunhe Gao, Song Wen, Di Liu, Hao Wang, Dimitris N. Metaxas
Abstract: In-context Learning (ICL) empowers large language models (LLMs) to swiftly adapt to unseen tasks at inference-time by prefixing a few demonstration examples before queries. Despite its versatility, ICL incurs substantial computational and memory overheads compared to zero-shot learning and is sensitive to the selection and order of demonstration examples. In this work, we introduce Implicit In-context Learning (I2CL), an innovative paradigm that reduces the inference cost of ICL to that of zero-shot learning with minimal information loss. I2CL operates by first generating a condensed vector representation, namely a context vector, extracted from the demonstration examples. It then conducts an inference-time intervention through injecting a linear combination of the context vector and query activations back into the model's residual streams. Empirical evaluation on nine real-world tasks across three model architectures demonstrates that I2CL achieves few-shot level performance at zero-shot inference cost, and it exhibits robustness against variations in demonstration examples. Furthermore, I2CL facilitates a novel representation of task-ids, enhancing task similarity detection and fostering effective transfer learning. We also perform a comprehensive analysis and ablation study on I2CL, offering deeper insights into its internal mechanisms. Code is available at https://github.com/LzVv123456/I2CL.
Authors: William L. Tong, Cengiz Pehlevan
Abstract: In-context learning (ICL), the remarkable ability to solve a task from only input exemplars, is often assumed to be a unique hallmark of Transformer models. By examining commonly employed synthetic ICL tasks, we demonstrate that multi-layer perceptrons (MLPs) can also learn in-context. Moreover, MLPs, and the closely related MLP-Mixer models, learn in-context comparably with Transformers under the same compute budget in this setting. We further show that MLPs outperform Transformers on a series of classical tasks from psychology designed to test relational reasoning, which are closely related to in-context classification. These results underscore a need for studying in-context learning beyond attention-based architectures, while also challenging prior arguments against MLPs' ability to solve relational tasks. Altogether, our results highlight the unexpected competence of MLPs in a synthetic setting, and support the growing interest in all-MLP alternatives to Transformer architectures. It remains unclear how MLPs perform against Transformers at scale on real-world tasks, and where a performance gap may originate. We encourage further exploration of these architectures in more complex settings to better understand the potential comparative advantage of attention-based schemes.
Authors: Linjiajie Fang, Ruoxue Liu, Jing Zhang, Wenjia Wang, Bing-Yi Jing
Abstract: In offline reinforcement learning, it is necessary to manage out-of-distribution actions to prevent overestimation of value functions. One class of methods, the policy-regularized method, addresses this problem by constraining the target policy to stay close to the behavior policy. Although several approaches suggest representing the behavior policy as an expressive diffusion model to boost performance, it remains unclear how to regularize the target policy given a diffusion-modeled behavior sampler. In this paper, we propose Diffusion Actor-Critic (DAC) that formulates the Kullback-Leibler (KL) constraint policy iteration as a diffusion noise regression problem, enabling direct representation of target policies as diffusion models. Our approach follows the actor-critic learning paradigm in which we alternatively train a diffusion-modeled target policy and a critic network. The actor training loss includes a soft Q-guidance term from the Q-gradient. The soft Q-guidance is based on the theoretical solution of the KL constraint policy iteration, which prevents the learned policy from taking out-of-distribution actions. We demonstrate that such diffusion-based policy constraint, along with the coupling of the lower confidence bound of the Q-ensemble as value targets, not only preserves the multi-modality of target policies, but also contributes to stable convergence and strong performance in DAC. Our approach is evaluated on D4RL benchmarks and outperforms the state-of-the-art in nearly all environments. Code is available at https://github.com/Fang-Lin93/DAC.
Authors: Pingzhi Li, Xiaolong Jin, Zhen Tan, Yu Cheng, Tianlong Chen
Abstract: Mixture-of-Experts (MoE) is a promising way to scale up the learning capacity of large language models. It increases the number of parameters while keeping FLOPs nearly constant during inference through sparse activation. Yet, it still suffers from significant memory overheads due to the vast parameter size, necessitating model compression techniques. Post-training quantization offers a powerful approach for model compression. Existing methods adopt a fixed quantization precision for the entire MoE model. This rigid setup can lead to suboptimal performance, without considering the inherent sparse structure. For example, MoE's sparse routing mechanism leads to different activation patterns, where shared experts are accessed by all tokens while token-conditioned experts are selectively activated. This activation disparity suggests different quantization requirements, with consistently activated shared experts potentially needing higher precision to maintain model quality. In this paper, we study a fine-grained precision setup for MoE quantization. We explore MoE structure-aware quantization heuristics, ranging from coarse (e.g., MoE layers) to fine granularity (e.g., linear layers). Our investigations reveal critical principles, where different MoE structures require varying numbers of bits for effective quantization. Conclusions are supported by extensive benchmarking across two representative MoE models and six tasks including commonsense reasoning and natural language understanding. We further show that an MoE quantized in a fined-grained mixed precision achieved state-of-the-art 65.35% performance on average compared to the baseline 64.30% (i.e., GPTQ). Moreover, based on the findings, we introduce novel data-driven techniques for optimizing bit allocation in MoE quantization, including the outlier-aware linear layer scorer and MoE block importance predictor.
Authors: Qizhou Wang, Bo Han, Puning Yang, Jianing Zhu, Tongliang Liu, Masashi Sugiyama
Abstract: The imperative to eliminate undesirable data memorization underscores the significance of machine unlearning for large language models (LLMs). Recent research has introduced a series of promising unlearning methods, notably boosting the practical significance of the field. Nevertheless, adopting a proper evaluation framework to reflect the true unlearning efficacy is also essential yet has not received adequate attention. This paper seeks to refine the evaluation of LLM unlearning by addressing two key challenges -- a) the robustness of evaluation metrics and b) the trade-offs between competing goals. The first challenge stems from findings that current metrics are susceptible to various red teaming scenarios. It indicates that they may not reflect the true extent of knowledge retained by LLMs but rather tend to mirror superficial model behaviors, thus prone to attacks. We address this issue by devising and assessing a series of candidate metrics, selecting the most robust ones under various types of attacks. The second challenge arises from the conflicting goals of eliminating unwanted knowledge while retaining those of others. This trade-off between unlearning and retention often fails to conform the Pareto frontier, rendering it subtle to compare the efficacy between methods that excel only in either unlearning or retention. We handle this issue by proposing a calibration method that can restore the original performance on non-targeted data after unlearning, thereby allowing us to focus exclusively on assessing the strength of unlearning. Our evaluation framework notably enhances the effectiveness when assessing and comparing various LLM unlearning methods, further allowing us to benchmark existing works, identify their proper hyper-parameters, and explore new tricks to enhance their practical efficacy.
Authors: Darko Drakulic, Sofia Michel, Jean-Marc Andreoli
Abstract: Machine Learning-based heuristics have recently shown impressive performance in solving a variety of hard combinatorial optimization problems (COPs). However, they generally rely on a separate neural model, specialized and trained for each single problem. Any variation of a problem requires adjustment of its model and re-training from scratch. In this paper, we propose GOAL (for Generalist combinatorial Optimization Agent Learner), a generalist model capable of efficiently solving multiple COPs and which can be fine-tuned to solve new COPs. GOAL consists of a single backbone plus light-weight problem-specific adapters for input and output processing. The backbone is based on a new form of mixed-attention blocks which allows to handle problems defined on graphs with arbitrary combinations of node, edge and instance-level features. Additionally, problems which involve heterogeneous types of nodes or edges are handled through a novel multi-type transformer architecture, where the attention blocks are duplicated to attend the meaningful combinations of types while relying on the same shared parameters. We train GOAL on a set of routing, scheduling and classic graph problems and show that it is only slightly inferior to the specialized baselines while being the first multi-task model that solves a wide range of COPs. Finally we showcase the strong transfer learning capacity of GOAL by fine-tuning it on several new problems. Our code is available at https://github.com/naver/goal-co/.
Authors: Xikun Zhang, Dongjin Song, Yushan Jiang, Yixin Chen, Dacheng Tao
Abstract: Observation-based trajectory prediction for systems with unknown dynamics is essential in fields such as physics and biology. Most existing approaches are limited to learning within a single system with fixed dynamics patterns. However, many real-world applications require learning across systems with evolving dynamics patterns, a challenge that has been largely overlooked. To address this, we systematically investigate the problem of Continual Dynamics Learning (CDL), examining task configurations and evaluating the applicability of existing techniques, while identifying key challenges. In response, we propose the Mode-switching Graph ODE (MS-GODE) model, which integrates the strengths LG-ODE and sub-network learning with a mode-switching module, enabling efficient learning over varying dynamics. Moreover, we construct a novel benchmark of biological dynamic systems for CDL, Bio-CDL, featuring diverse systems with disparate dynamics and significantly enriching the research field of machine learning for dynamic systems. Our code available at https://github.com/QueuQ/MS-GODE.
Authors: Serina Chang, Zhiyin Lin, Benjamin Yan, Swapnil Bembde, Qi Xiu, Chi Heem Wong, Yu Qin, Frank Kloster, Alex Luo, Raj Palleti, Jure Leskovec
Abstract: The global economy relies on the flow of goods over supply chain networks, with nodes as firms and edges as transactions between firms. While we may observe these external transactions, they are governed by unseen production functions, which determine how firms internally transform the input products they receive into output products that they sell. In this setting, it can be extremely valuable to infer these production functions, to improve supply chain visibility and to forecast future transactions more accurately. However, existing graph neural networks (GNNs) cannot capture these hidden relationships between nodes' inputs and outputs. Here, we introduce a new class of models for this setting by combining temporal GNNs with a novel inventory module, which learns production functions via attention weights and a special loss function. We evaluate our models extensively on real supply chains data and data generated from our new open-source simulator, SupplySim. Our models successfully infer production functions, outperforming the strongest baseline by 6%-50% (across datasets), and forecast future transactions, outperforming the strongest baseline by 11%-62%
Authors: Xinghua Xue, Cheng Liu, Feng Min, Yinhe Han
Abstract: Mitigating soft errors in neural networks (NNs) often incurs significant computational overhead. Traditional methods mainly explored static vulnerability variations across NN components, employing selective protection to minimize costs. In contrast, this work reveals that NN vulnerability is also input-dependent, exhibiting dynamic variations at runtime. To this end, we propose a lightweight graph neural network (GNN) model capable of capturing input- and component-specific vulnerability to soft errors. This model facilitates runtime vulnerability prediction, enabling an adaptive protection strategy that dynamically adjusts to varying vulnerabilities. The approach complements classical fault-tolerant techniques by tailoring protection efforts based on real-time vulnerability assessments. Experimental results across diverse datasets and NNs demonstrate that our adaptive protection method achieves a 42.12\% average reduction in computational overhead compared to prior static vulnerability-based approaches, without compromising reliability.
Authors: Benjie Wang, Guy Van den Broeck
Abstract: Probabilistic circuits are a unifying representation of functions as computation graphs of weighted sums and products. Their primary application is in probabilistic modeling, where circuits with non-negative weights (monotone circuits) can be used to represent and learn density/mass functions, with tractable marginal inference. Recently, it was proposed to instead represent densities as the square of the circuit function (squared circuits); this allows the use of negative weights while retaining tractability, and can be exponentially more expressive efficient than monotone circuits. Unfortunately, we show the reverse also holds, meaning that monotone circuits and squared circuits are incomparable in general. This raises the question of whether we can reconcile, and indeed improve upon the two modeling approaches. We answer in the positive by proposing Inception PCs, a novel type of circuit that naturally encompasses both monotone circuits and squared circuits as special cases, and employs complex parameters. Empirically, we validate that Inception PCs can outperform both monotone and squared circuits on a range of tabular and image datasets.
Authors: Jinluan Yang, Zhengyu Chen, Teng Xiao, Wenqiao Zhang, Yong Lin, Kun Kuang
Abstract: Heterophilic Graph Neural Networks (HGNNs) have shown promising results for semi-supervised learning tasks on graphs. Notably, most real-world heterophilic graphs are composed of a mixture of nodes with different neighbor patterns, exhibiting local node-level homophilic and heterophilic structures. However, existing works are only devoted to designing better HGNN backbones or architectures for node classification tasks on heterophilic and homophilic graph benchmarks simultaneously, and their analyses of HGNN performance with respect to nodes are only based on the determined data distribution without exploring the effect caused by this structural difference between training and testing nodes. How to learn invariant node representations on heterophilic graphs to handle this structure difference or distribution shifts remains unexplored. In this paper, we first discuss the limitations of previous graph-based invariant learning methods from the perspective of data augmentation. Then, we propose \textbf{HEI}, a framework capable of generating invariant node representations through incorporating heterophily information to infer latent environments without augmentation, which are then used for invariant prediction, under heterophilic graph structure distribution shifts. We theoretically show that our proposed method can achieve guaranteed performance under heterophilic graph structure distribution shifts. Extensive experiments on various benchmarks and backbones can also demonstrate the effectiveness of our method compared with existing state-of-the-art baselines. The code is available at https://github.com/Yangjinluan/HEI
Authors: Richard Bergna, Sergio Calvo-Ordo\~nez, Felix L. Opolka, Pietro Li\`o, Jose Miguel Hernandez-Lobato
Abstract: We propose a novel Stochastic Differential Equation (SDE) framework to address the problem of learning uncertainty-aware representations for graph-structured data. While Graph Neural Ordinary Differential Equations (GNODEs) have shown promise in learning node representations, they lack the ability to quantify uncertainty. To address this, we introduce Latent Graph Neural Stochastic Differential Equations (LGNSDE), which enhance GNODE by embedding randomness through a Bayesian prior-posterior mechanism for epistemic uncertainty and Brownian motion for aleatoric uncertainty. By leveraging the existence and uniqueness of solutions to graph-based SDEs, we prove that the variance of the latent space bounds the variance of model outputs, thereby providing theoretically sensible guarantees for the uncertainty estimates. Furthermore, we show mathematically that LGNSDEs are robust to small perturbations in the input, maintaining stability over time. Empirical results across several benchmarks demonstrate that our framework is competitive in out-of-distribution detection, robustness to noise, and active learning, underscoring the ability of LGNSDEs to quantify uncertainty reliably.
Authors: Christian Schmid, James M. Murray
Abstract: The ability of a brain or a neural network to efficiently learn depends crucially on both the task structure and the learning rule. Previous works have analyzed the dynamical equations describing learning in the relatively simplified context of the perceptron under assumptions of a student-teacher framework or a linearized output. While these assumptions have facilitated theoretical understanding, they have precluded a detailed understanding of the roles of the nonlinearity and input-data distribution in determining the learning dynamics, limiting the applicability of the theories to real biological or artificial neural networks. Here, we use a stochastic-process approach to derive flow equations describing learning, applying this framework to the case of a nonlinear perceptron performing binary classification. We characterize the effects of the learning rule (supervised or reinforcement learning, SL/RL) and input-data distribution on the perceptron's learning curve and the forgetting curve as subsequent tasks are learned. In particular, we find that the input-data noise differently affects the learning speed under SL vs. RL, as well as determines how quickly learning of a task is overwritten by subsequent learning. Additionally, we verify our approach with real data using the MNIST dataset. This approach points a way toward analyzing learning dynamics for more-complex circuit architectures.
Authors: Mabel Ogonna, Abigail Adeniran, Adewale Adeyemo
Abstract: Deep Neural Networks (DNNs) have achieved state of the art results and even outperformed human accuracy in many challenging tasks, leading to DNNs adoption in a variety of fields including natural language processing, pattern recognition, prediction, and control optimization. However, DNNs are accompanied by uncertainty about their results, causing them to predict an outcome that is either incorrect or outside of a certain level of confidence. These uncertainties stem from model or data constraints, which could be exacerbated by adversarial attacks. Adversarial attacks aim to provide perturbed input to DNNs, causing the DNN to make incorrect predictions or increase model uncertainty. In this review, we explore the relationship between DNN uncertainty and adversarial attacks, emphasizing how adversarial attacks might raise DNN uncertainty.
Authors: Shreyas Chaudhari, Srinivasa Pranav, Emile Anand, Jos\'e M. F. Moura
Abstract: Peer-to-peer learning is an increasingly popular framework that enables beyond-5G distributed edge devices to collaboratively train deep neural networks in a privacy-preserving manner without the aid of a central server. Neural network training algorithms for emerging environments, e.g., smart cities, have many design considerations that are difficult to tune in deployment settings -- such as neural network architectures and hyperparameters. This presents a critical need for characterizing the training dynamics of distributed optimization algorithms used to train highly nonconvex neural networks in peer-to-peer learning environments. In this work, we provide an explicit characterization of the learning dynamics of wide neural networks trained using popular distributed gradient descent (DGD) algorithms. Our results leverage both recent advancements in neural tangent kernel (NTK) theory and extensive previous work on distributed learning and consensus. We validate our analytical results by accurately predicting the parameter and error dynamics of wide neural networks trained for classification tasks.
Authors: Yu Chen, Jiatai Huang, Yan Dai, Longbo Huang
Abstract: In this paper, we present a novel algorithm, uniINF, for the Heavy-Tailed Multi-Armed Bandits (HTMAB) problem, demonstrating robustness and adaptability in both stochastic and adversarial environments. Unlike the stochastic MAB setting where loss distributions are stationary with time, our study extends to the adversarial setup, where losses are generated from heavy-tailed distributions that depend on both arms and time. Our novel algorithm `uniINF` enjoys the so-called Best-of-Both-Worlds (BoBW) property, performing optimally in both stochastic and adversarial environments without knowing the exact environment type. Moreover, our algorithm also possesses a Parameter-Free feature, i.e., it operates without the need of knowing the heavy-tail parameters $(\sigma, \alpha)$ a-priori. To be precise, uniINF ensures nearly-optimal regret in both stochastic and adversarial environments, matching the corresponding lower bounds when $(\sigma, \alpha)$ is known (up to logarithmic factors). To our knowledge, uniINF is the first parameter-free algorithm to achieve the BoBW property for the heavy-tailed MAB problem. Technically, we develop innovative techniques to achieve BoBW guarantees for Parameter-Free HTMABs, including a refined analysis for the dynamics of log-barrier, an auto-balancing learning rate scheduling scheme, an adaptive skipping-clipping loss tuning technique, and a stopping-time analysis for logarithmic regret.
Authors: Nikola Jovanovi\'c, Robin Staab, Maximilian Baader, Martin Vechev
Abstract: RAG enables LLMs to easily incorporate external data, raising concerns for data owners regarding unauthorized usage of their content. The challenge of detecting such unauthorized usage remains underexplored, with datasets and methods from adjacent fields being ill-suited for its study. We take several steps to bridge this gap. First, we formalize this problem as (black-box) RAG Dataset Inference (RAG-DI). We then introduce a novel dataset designed for realistic benchmarking of RAG-DI methods, alongside a set of baselines. Finally, we propose Ward, a method for RAG-DI based on LLM watermarks that equips data owners with rigorous statistical guarantees regarding their dataset's misuse in RAG corpora. Ward consistently outperforms all baselines, achieving higher accuracy, superior query efficiency and robustness. Our work provides a foundation for future studies of RAG-DI and highlights LLM watermarks as a promising approach to this problem.
Authors: Deqing Fu, Tong Xiao, Rui Wang, Wang Zhu, Pengchuan Zhang, Guan Pang, Robin Jia, Lawrence Chen
Abstract: Although reward models have been successful in improving multimodal large language models, the reward models themselves remain brutal and contain minimal information. Notably, existing reward models only mimic human annotations by assigning only one binary feedback to any text, no matter how long the text is. In the realm of multimodal language models, where models are required to process both images and texts, a naive reward model may learn implicit biases toward texts and become less grounded in images. In this paper, we propose a $\textbf{T}$oken-$\textbf{L}$evel $\textbf{D}$etective $\textbf{R}$eward Model ($\textbf{TLDR}$) to provide fine-grained annotations to each text token. We first introduce a perturbation-based method to generate synthetic hard negatives and their token-level labels to train TLDR models. Then we show the rich usefulness of TLDR models both in assisting off-the-shelf models to self-correct their generations, and in serving as a hallucination evaluation tool. We show that TLDR automatically trains a token-level likelihood optimization, and can improve the base model's performance significantly. Finally, we show that TLDR models can significantly speed up human annotation by 3 times to acquire a broader range of high-quality vision language data.
Authors: Tianyi Zhang, Junda Su, Aditya Desai, Oscar Wu, Zhaozhuo Xu, Anshumali Shrivastava
Abstract: Adapting pre-trained large language models (LLMs) is crucial but challenging due to their enormous size. Parameter-efficient fine-tuning (PEFT) techniques typically employ additive adapters applied to frozen model weights. To further reduce memory usage, model weights can be compressed through quantization. However, existing PEFT methods often yield suboptimal model quality due to restrictive assumptions, such as imposing low-rank constraints on adapters to reduce trainable parameters. We find that sketching, a popular data compression technique, can serve as an efficient adaptation strategy for LLMs while avoiding low-rank assumptions. We introduce SketchTune, a compressive adaptation strategy that compresses LLM weights into compact fine-tunable sketches, integrating compression and adaptation into a unified framework. This integration eliminates the need for complex two-path computation common in existing PEFT techniques, enabling faster and more memory-efficient training and inference. SketchTune is supported by mathematical insights into matrix classes that are better approximated using sketching rather than low-rank methods. Our rigorous evaluations with Llama-1/2/3 models demonstrate that SketchTune outperforms leading PEFT methods across diverse tasks including math problem-solving, common sense reasoning, and instruction following, while using substantially smaller base models and comparable trainable parameters. As a highlight, SketchTune outperforms LoRA, DoRA, and S2FT on commonsense and math benchmarks using 2.6-3.5$\times$ smaller base models and exceeds LoftQ in accuracy by 14.48% on GSM8K with 7.3$\times$ fewer trainable parameters.
Authors: Jinghan Li, Yuan Gao, Jinda Lu, Junfeng Fang, Congcong Wen, Hui Lin, Xiang Wang
Abstract: Graph Anomaly Detection (GAD) is crucial for identifying abnormal entities within networks, garnering significant attention across various fields. Traditional unsupervised methods, which decode encoded latent representations of unlabeled data with a reconstruction focus, often fail to capture critical discriminative content, leading to suboptimal anomaly detection. To address these challenges, we present a Diffusion-based Graph Anomaly Detector (DiffGAD). At the heart of DiffGAD is a novel latent space learning paradigm, meticulously designed to enhance its proficiency by guiding it with discriminative content. This innovative approach leverages diffusion sampling to infuse the latent space with discriminative content and introduces a content-preservation mechanism that retains valuable information across different scales, significantly improving its adeptness at identifying anomalies with limited time and space complexity. Our comprehensive evaluation of DiffGAD, conducted on six real-world and large-scale datasets with various metrics, demonstrated its exceptional performance.
Authors: Tengfei Lyu, Jindong Han, Hao Liu
Abstract: Nuclear radiation, which refers to the energy emitted from atomic nuclei during decay, poses significant risks to human health and environmental safety. Recently, advancements in monitoring technology have facilitated the effective recording of nuclear radiation levels and related factors, such as weather conditions. The abundance of monitoring data enables the development of accurate and reliable nuclear radiation forecasting models, which play a crucial role in informing decision-making for individuals and governments. However, this task is challenging due to the imbalanced distribution of monitoring stations over a wide spatial range and the non-stationary radiation variation patterns. In this study, we introduce NRFormer, a novel framework tailored for the nationwide prediction of nuclear radiation variations. By integrating a non-stationary temporal attention module, an imbalance-aware spatial attention module, and a radiation propagation prompting module, NRFormer collectively captures complex spatio-temporal dynamics of nuclear radiation. Extensive experiments on two real-world datasets demonstrate the superiority of our proposed framework against 11 baselines.
Authors: Zhen Liang, Weishan Ye, Qile Liu, Li Zhang, Gan Huang, Yongjie Zhou
Abstract: Non-suicidal self-injury (NSSI) is a serious threat to the physical and mental health of adolescents, significantly increasing the risk of suicide and attracting widespread public concern. Electroencephalography (EEG), as an objective tool for identifying brain disorders, holds great promise. However, extracting meaningful and reliable features from high-dimensional EEG data, especially by integrating spatiotemporal brain dynamics into informative representations, remains a major challenge. In this study, we introduce an advanced semi-supervised adversarial network, NSSI-Net, to effectively model EEG features related to NSSI. NSSI-Net consists of two key modules: a spatial-temporal feature extraction module and a multi-concept discriminator. In the spatial-temporal feature extraction module, an integrated 2D convolutional neural network (2D-CNN) and a bi-directional Gated Recurrent Unit (BiGRU) are used to capture both spatial and temporal dynamics in EEG data. In the multi-concept discriminator, signal, gender, domain, and disease levels are fully explored to extract meaningful EEG features, considering individual, demographic, disease variations across a diverse population. Based on self-collected NSSI data (n=114), the model's effectiveness and reliability are demonstrated, with a 5.44% improvement in performance compared to existing machine learning and deep learning methods. This study advances the understanding and early diagnosis of NSSI in adolescents with depression, enabling timely intervention. The source code is available at https://github.com/Vesan-yws/NSSINet.
Authors: Chen Bo Calvin Zhang, Zhang-Wei Hong, Aldo Pacchiano, Pulkit Agrawal
Abstract: Reward shaping is critical in reinforcement learning (RL), particularly for complex tasks where sparse rewards can hinder learning. However, choosing effective shaping rewards from a set of reward functions in a computationally efficient manner remains an open challenge. We propose Online Reward Selection and Policy Optimization (ORSO), a novel approach that frames the selection of shaping reward function as an online model selection problem. ORSO automatically identifies performant shaping reward functions without human intervention with provable regret guarantees. We demonstrate ORSO's effectiveness across various continuous control tasks. Compared to prior approaches, ORSO significantly reduces the amount of data required to evaluate a shaping reward function, resulting in superior data efficiency and a significant reduction in computational time (up to 8 times). ORSO consistently identifies high-quality reward functions outperforming prior methods by more than 50% and on average identifies policies as performant as the ones learned using manually engineered reward functions by domain experts.
Authors: Guoqi Yu, Yaoming Li, Xiaoyu Guo, Dayu Wang, Zirui Liu, Shujun Wang, Tong Yang
Abstract: Forecasting models are pivotal in a data-driven world with vast volumes of time series data that appear as a compound of vast Linear and Nonlinear patterns. Recent deep time series forecasting models struggle to utilize seasonal and trend decomposition to separate the entangled components. Such a strategy only explicitly extracts simple linear patterns like trends, leaving the other linear modes and vast unexplored nonlinear patterns to the residual. Their flawed linear and nonlinear feature extraction models and shallow-level decomposition limit their adaptation to the diverse patterns present in real-world scenarios. Given this, we innovate Recursive Residual Decomposition by introducing explicit extraction of both linear and nonlinear patterns. This deeper-level decomposition framework, which is named LiNo, captures linear patterns using a Li block which can be a moving average kernel, and models nonlinear patterns using a No block which can be a Transformer encoder. The extraction of these two patterns is performed alternatively and recursively. To achieve the full potential of LiNo, we develop the current simple linear pattern extractor to a general learnable autoregressive model, and design a novel No block that can handle all essential nonlinear patterns. Remarkably, the proposed LiNo achieves state-of-the-art on thirteen real-world benchmarks under univariate and multivariate forecasting scenarios. Experiments show that current forecasting models can deliver more robust and precise results through this advanced Recursive Residual Decomposition. We hope this work could offer insight into designing more effective forecasting models. Code is available at this Repository: https://github.com/Levi-Ackman/LiNo.
Authors: \"Omer Veysel \c{C}a\u{g}atan, Bar{\i}\c{s} Akg\"un
Abstract: In this study, we investigate the effect of SSL objective modifications within the SPR framework, focusing on specific adjustments such as terminal state masking and prioritized replay weighting, which were not explicitly addressed in the original design. While these modifications are specific to RL, they are not universally applicable across all RL algorithms. Therefore, we aim to assess their impact on performance and explore other SSL objectives that do not accommodate these adjustments like Barlow Twins and VICReg. We evaluate six SPR variants on the Atari 100k benchmark, including versions both with and without these modifications. Additionally, we test the performance of these objectives on the DeepMind Control Suite, where such modifications are absent. Our findings reveal that incorporating specific SSL modifications within SPR significantly enhances performance, and this influence extends to subsequent frameworks like SR-SPR and BBF, highlighting the critical importance of SSL objective selection and related adaptations in achieving data efficiency in self-predictive reinforcement learning.
Authors: Xuan He, Da Yin, Nanyun Peng
Abstract: How can "weak teacher models" such as average human annotators or existing AI systems, effectively supervise LLMs to improve performance on hard reasoning tasks, especially those that challenge and requires expertise or daily practice from the teacher models? In this paper, we seek for empirical answers to this question by investigating various data-driven strategies that offer supervision data at different quality levels upon tasks of varying complexity. Two intuitive strategies emerge for teacher models to provide supervision during alignment training: 1) using lower-quality supervision from complete tasks that match the difficulty of the target reasoning tasks, and 2) leveraging higher-quality supervision from easier subtasks that are less challenging. Interestingly, we find that even when the outcome error rate for hard task supervision is high (e.g., 90\%), training on such data can outperform perfectly correct supervision of easier subtasks on multiple hard math benchmarks. We further identify a more critical factor influencing training performance: step-wise error rates, which indicate the severity of errors in solutions. Specifically, training on hard task supervision with the same outcome error rates but disparate step-wise error rates can lead to a 30\% accuracy gap on MATH benchmark. Our results also reveal that supplementing hard task supervision with the corresponding subtask supervision can yield notable performance improvements than simply combining rephrased hard full task supervision, suggesting new avenues for data augmentation. Data and code are released at https://github.com/hexuan21/Weak-to-Strong.
Authors: Shaobo Wang, Hongxuan Tang, Mingyang Wang, Hongrui Zhang, Xuyang Liu, Weiya Li, Xuming Hu, Linfeng Zhang
Abstract: The debate between self-interpretable models and post-hoc explanations for black-box models is central to Explainable AI (XAI). Self-interpretable models, such as concept-based networks, offer insights by connecting decisions to human-understandable concepts but often struggle with performance and scalability. Conversely, post-hoc methods like Shapley values, while theoretically robust, are computationally expensive and resource-intensive. To bridge the gap between these two lines of research, we propose a novel method that combines their strengths, providing theoretically guaranteed self-interpretability for black-box models without compromising prediction accuracy. Specifically, we introduce a parameter-efficient pipeline, AutoGnothi, which integrates a small side network into the black-box model, allowing it to generate Shapley value explanations without changing the original network parameters. This side-tuning approach significantly reduces memory, training, and inference costs, outperforming traditional parameter-efficient methods, where full fine-tuning serves as the optimal baseline. AutoGnothi enables the black-box model to predict and explain its predictions with minimal overhead. Extensive experiments show that AutoGnothi offers accurate explanations for both vision and language tasks, delivering superior computational efficiency with comparable interpretability.
Authors: Patrik Reizinger, Alice Bizeul, Attila Juhos, Julia E. Vogt, Randall Balestriero, Wieland Brendel, David Klindt
Abstract: Supervised learning has become a cornerstone of modern machine learning, yet a comprehensive theory explaining its effectiveness remains elusive. Empirical phenomena, such as neural analogy-making and the linear representation hypothesis, suggest that supervised models can learn interpretable factors of variation in a linear fashion. Recent advances in self-supervised learning, particularly nonlinear Independent Component Analysis, have shown that these methods can recover latent structures by inverting the data generating process. We extend these identifiability results to parametric instance discrimination, then show how insights transfer to the ubiquitous setting of supervised learning with cross-entropy minimization. We prove that even in standard classification tasks, models learn representations of ground-truth factors of variation up to a linear transformation. We corroborate our theoretical contribution with a series of empirical studies. First, using simulated data matching our theoretical assumptions, we demonstrate successful disentanglement of latent factors. Second, we show that on DisLib, a widely-used disentanglement benchmark, simple classification tasks recover latent structures up to linear transformations. Finally, we reveal that models trained on ImageNet encode representations that permit linear decoding of proxy factors of variation. Together, our theoretical findings and experiments offer a compelling explanation for recent observations of linear representations, such as superposition in neural networks. This work takes a significant step toward a cohesive theory that accounts for the unreasonable effectiveness of supervised deep learning.
Authors: Yanshi Li, Shaopan Xiong, Gengru Chen, Xiaoyang Li, Yijia Luo, Xingyuan Bu, Yingshui Tan, Wenbo Su, Bo Zheng
Abstract: Reinforcement Learning (RL) has proven highly effective in aligning Large Language Models (LLMs) with human preferences. Typical RL methods optimize under an overall sequence reward, which can lead to a suboptimal learning process. This reflects a key credit assignment problem: identifying which tokens to reinforce or suppress. To rectify these shortcomings, step-wise and token-wise methods have been proposed. However, step-wise methods rely on punctuation segmentation and still cannot accurately identify the key tokens. The token-level approach is too fine-grained, attending to many unimportant tokens and thus introducing a large amount of noise. To assign more accurate rewards to different tokens, improving credit assignment, we propose the "Adaptive Segment-wise Reward" method. We employ semantic meaning, rather than punctuation, to adaptively delineate segments. Experiments demonstrate that our method can be integrated into various training methods. Compared to training methods \textit{without} our approach, our method improves the success rate on adversarial samples by 10\%, and achieves a 1.3\% improvement on evaluation benchmarks such as MMLU, GSM8K, HumanEval, etc.
Authors: Isay Katsman, Anna Gilbert
Abstract: Recent papers in the graph machine learning literature have introduced a number of approaches for hyperbolic representation learning. The asserted benefits are improved performance on a variety of graph tasks, node classification and link prediction included. Claims have also been made about the geometric suitability of particular hierarchical graph datasets to representation in hyperbolic space. Despite these claims, our work makes a surprising discovery: when simple Euclidean models with comparable numbers of parameters are properly trained in the same environment, in most cases, they perform as well, if not better, than all introduced hyperbolic graph representation learning models, even on graph datasets previously claimed to be the most hyperbolic as measured by Gromov $\delta$-hyperbolicity (i.e., perfect trees). This observation gives rise to a simple question: how can this be? We answer this question by taking a careful look at the field of hyperbolic graph representation learning as it stands today, and find that a number of results do not diligently present baselines, make faulty modelling assumptions when constructing algorithms, and use misleading metrics to quantify geometry of graph datasets. We take a closer look at each of these three problems, elucidate the issues, perform an analysis of methods, and introduce a parametric family of benchmark datasets to ascertain the applicability of (hyperbolic) graph neural networks.
Authors: Tiberiu Musat
Abstract: In this paper, I introduce the retrieval problem, a simple yet common reasoning task that can be solved only by transformers with a minimum number of layers, which grows logarithmically with the input size. I empirically show that large language models can solve the task under different prompting formulations without any fine-tuning. To understand how transformers solve the retrieval problem, I train several transformers on a minimal formulation. Successful learning occurs only under the presence of an implicit curriculum. I uncover the learned mechanisms by studying the attention maps in the trained transformers. I also study the training process, uncovering that attention heads always emerge in a specific sequence guided by the implicit curriculum.
Authors: Jesse Friedbaum, Sudarshan Adiga, Ravi Tandon
Abstract: We propose a new and intuitive metric for aleatoric uncertainty quantification (UQ), the prevalence of class collisions defined as the same input being observed in different classes. We use the rate of class collisions to define the collision matrix, a novel and uniquely fine-grained measure of uncertainty. For a classification problem involving $K$ classes, the $K\times K$ collision matrix $S$ measures the inherent difficulty in distinguishing between each pair of classes. We discuss several applications of the collision matrix, establish its fundamental mathematical properties, as well as show its relationship with existing UQ methods, including the Bayes error rate (BER). We also address the new problem of estimating the collision matrix using one-hot labeled data by proposing a series of innovative techniques to estimate $S$. First, we learn a pair-wise contrastive model which accepts two inputs and determines if they belong to the same class. We then show that this contrastive model (which is PAC learnable) can be used to estimate the Gramian matrix of $S$, defined as $G=S^TS$. Finally, we show that under reasonable assumptions, $G$ can be used to uniquely recover $S$, a new result on non-negative matrices which could be of independent interest. With a method to estimate $S$ established, we demonstrate how this estimate of $S$, in conjunction with the contrastive model, can be used to estimate the posterior class portability distribution of any point. Experimental results are also presented to validate our methods of estimating the collision matrix and class posterior distributions on several datasets.
Authors: Francesco Ferrini, Antonio Longa, Andrea Passerini, Manfred Jaeger
Abstract: Recently, significant attention has been given to the idea of viewing relational databases as heterogeneous graphs, enabling the application of graph neural network (GNN) technology for predictive tasks. However, existing GNN methods struggle with the complexity of the heterogeneous graphs induced by databases with numerous tables and relations. Traditional approaches either consider all possible relational meta-paths, thus failing to scale with the number of relations, or rely on domain experts to identify relevant meta-paths. A recent solution does manage to learn informative meta-paths without expert supervision, but assumes that a node's class depends solely on the existence of a meta-path occurrence. In this work, we present a self-explainable heterogeneous GNN for relational data, that supports models in which class membership depends on aggregate information obtained from multiple occurrences of a meta-path. Experimental results show that in the context of relational databases, our approach effectively identifies informative meta-paths that faithfully capture the model's reasoning mechanisms. It significantly outperforms existing methods in both synthetic and real-world scenario.
Authors: Md. Khairul Islam, Judy Fox
Abstract: Interpreting complex time series forecasting models is challenging due to the temporal dependencies between time steps and the dynamic relevance of input features over time. Existing interpretation methods are limited by focusing mostly on classification tasks, evaluating using custom baseline models instead of the latest time series models, using simple synthetic datasets, and requiring training another model. We introduce a novel interpretation method, \textit{Windowed Temporal Saliency Rescaling (WinTSR)} addressing these limitations. WinTSR explicitly captures temporal dependencies among the past time steps and efficiently scales the feature importance with this time importance. We benchmark WinTSR against 10 recent interpretation techniques with 5 state-of-the-art deep-learning models of different architectures, including a time series foundation model. We use 3 real-world datasets for both time-series classification and regression. Our comprehensive analysis shows that WinTSR significantly outperforms other local interpretation methods in overall performance. Finally, we provide a novel, open-source framework to interpret the latest time series transformers and foundation models.
Authors: Marcin Pietro\'n, Kamil Faber, Dominik \.Zurek, Roberto Corizzo
Abstract: Continual Learning (CL) is a highly relevant setting gaining traction in recent machine learning research. Among CL works, architectural and hybrid strategies are particularly effective due to their potential to adapt the model architecture as new tasks are presented. However, many existing solutions do not efficiently exploit model sparsity, and are prone to capacity saturation due to their inefficient use of available weights, which limits the number of learnable tasks. In this paper, we propose TinySubNets (TSN), a novel architectural CL strategy that addresses the issues through the unique combination of pruning with different sparsity levels, adaptive quantization, and weight sharing. Pruning identifies a subset of weights that preserve model performance, making less relevant weights available for future tasks. Adaptive quantization allows a single weight to be separated into multiple parts which can be assigned to different tasks. Weight sharing between tasks boosts the exploitation of capacity and task similarity, allowing for the identification of a better trade-off between model accuracy and capacity. These features allow TSN to efficiently leverage the available capacity, enhance knowledge transfer, and reduce computational resource consumption. Experimental results involving common benchmark CL datasets and scenarios show that our proposed strategy achieves better results in terms of accuracy than existing state-of-the-art CL strategies. Moreover, our strategy is shown to provide a significantly improved model capacity exploitation. Code released at: https://github.com/lifelonglab/tinysubnets.
Authors: Qitong Wang, Tang Li, Kien X. Nguyen, Xi Peng
Abstract: Vision-Language Models (VLMs), such as CLIP, have already seen widespread applications. Researchers actively engage in further fine-tuning VLMs in safety-critical domains. In these domains, prediction rationality is crucial: the prediction should be correct and based on valid evidence. Yet, for VLMs, the impact of fine-tuning on prediction rationality is seldomly investigated. To study this problem, we proposed two new metrics called Prediction Trustworthiness and Inference Reliability. We conducted extensive experiments on various settings and observed some interesting phenomena. On the one hand, we found that the well-adopted fine-tuning methods led to more correct predictions based on invalid evidence. This potentially undermines the trustworthiness of correct predictions from fine-tuned VLMs. On the other hand, having identified valid evidence of target objects, fine-tuned VLMs were more likely to make correct predictions. Moreover, the findings are also consistent under distributional shifts and across various experimental settings. We hope our research offer fresh insights to VLM fine-tuning.
Authors: Cheng Wan, Runkai Tao, Zheng Du, Yang Katie Zhao, Yingyan Celine Lin
Abstract: Graph convolutional networks (GCNs) have demonstrated superiority in graph-based learning tasks. However, training GCNs on full graphs is particularly challenging, due to the following two challenges: (1) the associated feature tensors can easily explode the memory and block the communication bandwidth of modern accelerators, and (2) the computation workflow in training GCNs alternates between sparse and dense matrix operations, complicating the efficient utilization of computational resources. Existing solutions for scalable distributed full-graph GCN training mostly adopt partition parallelism, which is unsatisfactory as they only partially address the first challenge while incurring scaled-out communication volume. To this end, we propose MixGCN aiming to simultaneously address both the aforementioned challenges towards GCN training. To tackle the first challenge, MixGCN integrates mixture of parallelism. Both theoretical and empirical analysis verify its constant communication volumes and enhanced balanced workload; For handling the second challenge, we consider mixture of accelerators (i.e., sparse and dense accelerators) with a dedicated accelerator for GCN training and a fine-grain pipeline. Extensive experiments show that MixGCN achieves boosted training efficiency and scalability.
Authors: Roberto-Rafael Maura-Rivero, Chirag Nagpal, Roma Patel, Francesco Visin
Abstract: Current methods that train large language models (LLMs) with reinforcement learning feedback, often resort to averaging outputs of multiple rewards functions during training. This overlooks crucial aspects of individual reward dimensions and inter-reward dependencies that can lead to sub-optimal outcomes in generations. In this work, we show how linear aggregation of rewards exhibits some vulnerabilities that can lead to undesired properties of generated text. We then propose a transformation of reward functions inspired by economic theory of utility functions (specifically Inada conditions), that enhances sensitivity to low reward values while diminishing sensitivity to already high values. We compare our approach to the existing baseline methods that linearly aggregate rewards and show how the Inada-inspired reward feedback is superior to traditional weighted averaging. We quantitatively and qualitatively analyse the difference in the methods, and see that models trained with Inada-transformations score as more helpful while being less harmful.
Authors: Libo Wang
Abstract: In view of the gap in the current large language model in sharing memory across dialogues, this research proposes a wormhole memory module (WMM) to realize memory as a Rubik's cube that can be arbitrarily retrieved between different dialogues. Through simulation experiments, the researcher built an experimental framework based on the Python environment and used setting memory barriers to simulate the current situation where memories between LLMs dialogues are difficult to share. The CoQA development data set was imported into the experiment, and the feasibility of its cross-dialogue memory retrieval function was verified for WMM's nonlinear indexing and dynamic retrieval, and a comparative analysis was conducted with the capabilities of Titans and MemGPT memory modules. Experimental results show that WMM demonstrated the ability to retrieve memory across dialogues and the stability of quantitative indicators in eight experiments. It contributes new technical approaches to the optimization of memory management of LLMs and provides experience for the practical application in the future.
Authors: Valentin De Bortoli, Alexandre Galashov, J. Swaroop Guntupalli, Guangyao Zhou, Kevin Murphy, Arthur Gretton, Arnaud Doucet
Abstract: Diffusion models generate high-quality synthetic data. They operate by defining a continuous-time forward process which gradually adds Gaussian noise to data until fully corrupted. The corresponding reverse process progressively "denoises" a Gaussian sample into a sample from the data distribution. However, generating high-quality outputs requires many discretization steps to obtain a faithful approximation of the reverse process. This is expensive and has motivated the development of many acceleration methods. We propose to accomplish sample generation by learning the posterior {\em distribution} of clean data samples given their noisy versions, instead of only the mean of this distribution. This allows us to sample from the probability transitions of the reverse process on a coarse time scale, significantly accelerating inference with minimal degradation of the quality of the output. This is accomplished by replacing the standard regression loss used to estimate conditional means with a scoring rule. We validate our method on image and robot trajectory generation, where we consistently outperform standard diffusion models at few discretization steps.
Authors: Qingyue Zhang, Haohao Fu, Guanbo Huang, Yaoyuan Liang, Chang Chu, Tianren Peng, Yanru Wu, Qi Li, Yang Li, Shao-Lun Huang
Abstract: Multi-source transfer learning provides an effective solution to data scarcity in real-world supervised learning scenarios by leveraging multiple source tasks. In this field, existing works typically use all available samples from sources in training, which constrains their training efficiency and may lead to suboptimal results. To address this, we propose a theoretical framework that answers the question: what is the optimal quantity of source samples needed from each source task to jointly train the target model? Specifically, we introduce a generalization error measure that aligns with cross-entropy loss, and minimize it based on the Cram\'er-Rao Bound to determine the optimal transfer quantity for each source task. Additionally, we develop an architecture-agnostic and data-efficient algorithm OTQMS to implement our theoretical results for training deep multi-source transfer learning models. Experimental studies on diverse architectures and two real-world benchmark datasets show that our proposed algorithm significantly outperforms state-of-the-art approaches in both accuracy and data efficiency. The code and supplementary materials are available in https://anonymous.4open.science/r/Materials.
Authors: Xing Li, Zeyu Xing, Yiming Li, Linping Qu, Hui-Ling Zhen, Wulong Liu, Yiwu Yao, Sinno Jialin Pan, Mingxuan Yuan
Abstract: KV cache quantization can improve Large Language Models (LLMs) inference throughput and latency in long contexts and large batch-size scenarios while preserving LLMs effectiveness. However, current methods have three unsolved issues: overlooking layer-wise sensitivity to KV cache quantization, high overhead of online fine-grained decision-making, and low flexibility to different LLMs and constraints. Therefore, we thoroughly analyze the inherent correlation of layer-wise transformer attention patterns to KV cache quantization errors and study why key cache is more important than value cache for quantization error reduction. We further propose a simple yet effective framework KVTuner to adaptively search for the optimal hardware-friendly layer-wise KV quantization precision pairs for coarse-grained KV cache with multi-objective optimization and directly utilize the offline searched configurations during online inference. To reduce the computational cost of offline calibration, we utilize the intra-layer KV precision pair pruning and inter-layer clustering to reduce the search space. Experimental results show that we can achieve nearly lossless 3.25-bit mixed precision KV cache quantization for LLMs like Llama-3.1-8B-Instruct and 4.0-bit for sensitive models like Qwen2.5-7B-Instruct on mathematical reasoning tasks. The maximum inference throughput can be improved by 38.3% compared with KV8 quantization over various context lengths. Our code and searched configurations are available at https://github.com/cmd2001/KVTuner.
Authors: Ruiyi Fang, Bingheng Li, Zhao Kang, Qiuhao Zeng, Nima Hosseini Dashtbayaz, Ruizhi Pu, Boyu Wang, Charles Ling
Abstract: Graph Domain Adaptation (GDA) addresses a pressing challenge in cross-network learning, particularly pertinent due to the absence of labeled data in real-world graph datasets. Recent studies attempted to learn domain invariant representations by eliminating structural shifts between graphs. In this work, we show that existing methodologies have overlooked the significance of the graph node attribute, a pivotal factor for graph domain alignment. Specifically, we first reveal the impact of node attributes for GDA by theoretically proving that in addition to the graph structural divergence between the domains, the node attribute discrepancy also plays a critical role in GDA. Moreover, we also empirically show that the attribute shift is more substantial than the topology shift, which further underscores the importance of node attribute alignment in GDA. Inspired by this finding, a novel cross-channel module is developed to fuse and align both views between the source and target graphs for GDA. Experimental results on a variety of benchmarks verify the effectiveness of our method.
Authors: Wenlun Zhang, Enyan Dai, Kentaro Yoshioka
Abstract: Graph Neural Networks (GNNs) have demonstrated remarkable proficiency in modeling data with graph structures, yet recent research reveals their susceptibility to adversarial attacks. Traditional attack methodologies, which rely on manipulating the original graph or adding links to artificially created nodes, often prove impractical in real-world settings. This paper introduces a novel adversarial scenario involving the injection of an isolated subgraph to deceive both the link recommender and the node classifier within a GNN system. Specifically, the link recommender is mislead to propose links between targeted victim nodes and the subgraph, encouraging users to unintentionally establish connections and that would degrade the node classification accuracy, thereby facilitating a successful attack. To address this, we present the LiSA framework, which employs a dual surrogate model and bi-level optimization to simultaneously meet two adversarial objectives. Extensive experiments on real-world datasets demonstrate the effectiveness of our method.
Authors: Bowen Su
Abstract: Anomaly detection plays a critical role in modern data-driven applications, from identifying fraudulent transactions and safeguarding network infrastructure to monitoring sensor systems for irregular patterns. Traditional approaches, such as distance, density, or cluster-based methods, face significant challenges when applied to high dimensional tensor data, where complex interdependencies across dimensions amplify noise and computational complexity. To address these limitations, this paper leverages Tensor Chidori pseudoskeleton decomposition within a tensor-robust principal component analysis framework to extract low Tucker rank structure while isolating sparse anomalies, ensuring robustness to anomaly detection. We establish theoretical results regarding convergence, and estimation error, demonstrating the stability and accuracy of the proposed approach. Numerical experiments on real-world spatiotemporal data from New York City taxi trip records validate the superiority of the proposed method in detecting anomalous urban events compared to existing benchmark methods. The results underscore the potential of Tensor Chidori pseudoskeleton decomposition to enhance anomaly detection for large-scale, high-dimensional data.
Authors: Zhaoyi Zhou, Yuda Song, Andrea Zanette
Abstract: When developing new large language models (LLMs), a key step is evaluating their final performance, often by computing the win-rate against a reference model based on external feedback. Human feedback is the gold standard, particularly for capturing nuanced qualities like coherence, readability, and alignment with human expectations. However, human evaluations are costly -- even for large tech companies -- and when conducted with active users, they may negatively impact user experience. A promising alternative is synthetic feedback, where evaluations are conducted by other large language models, including reward models. While this eliminates the need for costly human annotations, it introduces biases that may distort the evaluation process. In this work, we propose a statistically principled framework that integrates human and synthetic feedback to reduce reliance on human annotations while maintaining unbiased win-rate calculations. Our experiments demonstrate a reduction in human annotations by up to 12.2% with an off-the-shelf synthetic evaluator and up to 24.8% with a finetuned variant. Apart from being generalizable, scalable, and free of hyper-parameter tuning, our method offers predictable annotation savings, which can be estimated based on data-dependent characteristics.
Authors: Samuel Miserendino, Michele Wang, Tejal Patwardhan, Johannes Heidecke
Abstract: We introduce SWE-Lancer, a benchmark of over 1,400 freelance software engineering tasks from Upwork, valued at \$1 million USD total in real-world payouts. SWE-Lancer encompasses both independent engineering tasks--ranging from \$50 bug fixes to \$32,000 feature implementations--and managerial tasks, where models choose between technical implementation proposals. Independent tasks are graded with end-to-end tests triple-verified by experienced software engineers, while managerial decisions are assessed against the choices of the original hired engineering managers. We evaluate model performance and find that frontier models are still unable to solve the majority of tasks. To facilitate future research, we open-source a unified Docker image and a public evaluation split, SWE-Lancer Diamond (https://github.com/openai/SWELancer-Benchmark). By mapping model performance to monetary value, we hope SWE-Lancer enables greater research into the economic impact of AI model development.
Authors: Batu El, Deepro Choudhury, Pietro Li\`o, Chaitanya K. Joshi
Abstract: We introduce Attention Graphs, a new tool for mechanistic interpretability of Graph Neural Networks (GNNs) and Graph Transformers based on the mathematical equivalence between message passing in GNNs and the self-attention mechanism in Transformers. Attention Graphs aggregate attention matrices across Transformer layers and heads to describe how information flows among input nodes. Through experiments on homophilous and heterophilous node classification tasks, we analyze Attention Graphs from a network science perspective and find that: (1) When Graph Transformers are allowed to learn the optimal graph structure using all-to-all attention among input nodes, the Attention Graphs learned by the model do not tend to correlate with the input/original graph structure; and (2) For heterophilous graphs, different Graph Transformer variants can achieve similar performance while utilising distinct information flow patterns. Open source code: https://github.com/batu-el/understanding-inductive-biases-of-gnns
URLs: https://github.com/batu-el/understanding-inductive-biases-of-gnns
Authors: Longchao Da, Justin Turnau, Thirulogasankar Pranav Kutralingam, Alvaro Velasquez, Paulo Shakarian, Hua Wei
Abstract: Deep Reinforcement Learning (RL) has been explored and verified to be effective in solving decision-making tasks in various domains, such as robotics, transportation, recommender systems, etc. It learns from the interaction with environments and updates the policy using the collected experience. However, due to the limited real-world data and unbearable consequences of taking detrimental actions, the learning of RL policy is mainly restricted within the simulators. This practice guarantees safety in learning but introduces an inevitable sim-to-real gap in terms of deployment, thus causing degraded performance and risks in execution. There are attempts to solve the sim-to-real problems from different domains with various techniques, especially in the era with emerging techniques such as large foundations or language models that have cast light on the sim-to-real. This survey paper, to the best of our knowledge, is the first taxonomy that formally frames the sim-to-real techniques from key elements of the Markov Decision Process (State, Action, Transition, and Reward). Based on the framework, we cover comprehensive literature from the classic to the most advanced methods including the sim-to-real techniques empowered by foundation models, and we also discuss the specialties that are worth attention in different domains of sim-to-real problems. Then we summarize the formal evaluation process of sim-to-real performance with accessible code or benchmarks. The challenges and opportunities are also presented to encourage future exploration of this direction. We are actively maintaining a repository to include the most up-to-date sim-to-real research work to help domain researchers.
Authors: Konstantin Yakovlev, Nikita Puchkin
Abstract: We examine theoretical properties of the denoising score matching estimate. We model the density of observations with a nonparametric Gaussian mixture. We significantly relax the standard manifold assumption allowing the samples step away from the manifold. At the same time, we are still able to leverage a nice distribution structure. We derive non-asymptotic bounds on the approximation and generalization errors of the denoising score matching estimate. The rates of convergence are determined by the intrinsic dimension. Furthermore, our bounds remain valid even if we allow the ambient dimension grow polynomially with the sample size.
Authors: Alexander Terenin, Jeffrey Negrea
Abstract: We develop an analysis of Thompson sampling for online learning under full feedback - also known as prediction with expert advice - where the learner's prior is defined over the space of an adversary's future actions, rather than the space of experts. We show regret decomposes into regret the learner expected a priori, plus a prior-robustness-type term we call excess regret. In the classical finite-expert setting, this recovers optimal rates. As an initial step towards practical online learning in settings with a potentially-uncountably-infinite number of experts, we show that Thompson sampling with a certain Gaussian process prior widely-used in the Bayesian optimization literature has a $\mathcal{O}(\beta\sqrt{T\log(1+\lambda)})$ rate against a $\beta$-bounded $\lambda$-Lipschitz adversary.
Authors: W. Max Schreyer, Christopher Anderson, Reid F. Thompson
Abstract: Failure of machine learning models to generalize to new data is a core problem limiting the reliability of AI systems, partly due to the lack of simple and robust methods for comparing new data to the original training dataset. We propose a standardized approach for assessing data similarity in a model-agnostic manner by constructing a supervised autoencoder for generalizability estimation (SAGE). We compare points in a low-dimensional embedded latent space, defining empirical probability measures for k-Nearest Neighbors (kNN) distance, reconstruction of inputs and task-based performance. As proof of concept for classification tasks, we use MNIST and CIFAR-10 to demonstrate how an ensemble output probability score can separate deformed images from a mixture of typical test examples, and how this SAGE score is robust to transformations of increasing severity. As further proof of concept, we extend this approach to a regression task using non-imaging data (UCI Abalone). In all cases, we show that out-of-the-box model performance increases after SAGE score filtering, even when applied to data from the model's own training and test datasets. Our out-of-distribution scoring method can be introduced during several steps of model construction and assessment, leading to future improvements in responsible deep learning implementation.
Authors: Bishwajit Prasad Gond
Abstract: The increasing complexity of supply chains and the rising costs associated with defective or substandard goods (bad goods) highlight the urgent need for advanced predictive methodologies to mitigate risks and enhance operational efficiency. This research presents a novel framework that integrates Time Series ARIMA (AutoRegressive Integrated Moving Average) models with a proprietary formula specifically designed to calculate bad goods after time series forecasting. By leveraging historical data patterns, including sales, returns, and capacity, the model forecasts potential quality failures, enabling proactive decision-making. ARIMA is employed to capture temporal trends in time series data, while the newly developed formula quantifies the likelihood and impact of defects with greater precision. Experimental results, validated on a dataset spanning 2022-2024 for Organic Beer-G 1 Liter, demonstrate that the proposed method outperforms traditional statistical models, such as Exponential Smoothing and Holt-Winters, in both prediction accuracy and risk evaluation. This study advances the field of predictive analytics by bridging time series forecasting, ARIMA, and risk management in supply chain quality control, offering a scalable and practical solution for minimizing losses due to bad goods.
Authors: Xinyu Zhang, Zewei Zhou, Zhaoyi Wang, Yangjie Ji, Yanjun Huang, Hong Chen
Abstract: Vehicle-to-everything technologies (V2X) have become an ideal paradigm to extend the perception range and see through the occlusion. Exiting efforts focus on single-frame cooperative perception, however, how to capture the temporal cue between frames with V2X to facilitate the prediction task even the planning task is still underexplored. In this paper, we introduce the Co-MTP, a general cooperative trajectory prediction framework with multi-temporal fusion for autonomous driving, which leverages the V2X system to fully capture the interaction among agents in both history and future domains to benefit the planning. In the history domain, V2X can complement the incomplete history trajectory in single-vehicle perception, and we design a heterogeneous graph transformer to learn the fusion of the history feature from multiple agents and capture the history interaction. Moreover, the goal of prediction is to support future planning. Thus, in the future domain, V2X can provide the prediction results of surrounding objects, and we further extend the graph transformer to capture the future interaction among the ego planning and the other vehicles' intentions and obtain the final future scenario state under a certain planning action. We evaluate the Co-MTP framework on the real-world dataset V2X-Seq, and the results show that Co-MTP achieves state-of-the-art performance and that both history and future fusion can greatly benefit prediction.
Authors: Rui Liu, Peng Gao, Yu Shen, Ming Lin, Pratap Tokekar
Abstract: Knowledge transfer between teacher and student models has proven effective across various machine learning applications. However, challenges arise when the teacher's predictions are noisy, or the data domain during student training shifts from the teacher's pretraining data. In such scenarios, blindly relying on the teacher's predictions can lead to suboptimal knowledge transfer. To address these challenges, we propose a novel and universal framework, Adaptive Uncertainty-guided Knowledge Transfer ($\textbf{AUKT}$), which leverages Conformal Prediction (CP) to dynamically adjust the student's reliance on the teacher's guidance based on the teacher's prediction uncertainty. CP is a distribution-free, model-agnostic approach that provides reliable prediction sets with statistical coverage guarantees and minimal computational overhead. This adaptive mechanism mitigates the risk of learning undesirable or incorrect knowledge. We validate the proposed framework across diverse applications, including image classification, imitation-guided reinforcement learning, and autonomous driving. Experimental results consistently demonstrate that our approach improves performance, robustness and transferability, offering a promising direction for enhanced knowledge transfer in real-world applications.
Authors: Jiayi Wang, Juan C. Alfaro, Viktor Bengs
Abstract: The label ranking problem is a supervised learning scenario in which the learner predicts a total order of the class labels for a given input instance. Recently, research has increasingly focused on the partial label ranking problem, a generalization of the label ranking problem that allows ties in the predicted orders. So far, most existing learning approaches for the partial label ranking problem rely on approximation algorithms for rank aggregation in the final prediction step. This paper explores several alternative aggregation methods for this critical step, including scoring-based and probabilistic-based rank aggregation approaches. To enhance their suitability for the more general partial label ranking problem, the investigated methods are extended to increase the likelihood of producing ties. Experimental evaluations on standard benchmarks demonstrate that scoring-based variants consistently outperform the current state-of-the-art method in handling incomplete information. In contrast, probabilistic-based variants fail to achieve competitive performance.
Authors: Yinchuan Li, Xinyu Shao, Jianping Zhang, Haozhi Wang, Leo Maxime Brunswic, Kaiwen Zhou, Jiqian Dong, Kaiyang Guo, Xiu Li, Zhitang Chen, Jun Wang, Jianye Hao
Abstract: In recent years, the exceptional performance of generative models in generative tasks has sparked significant interest in their integration into decision-making processes. Due to their ability to handle complex data distributions and their strong model capacity, generative models can be effectively incorporated into decision-making systems by generating trajectories that guide agents toward high-reward state-action regions or intermediate sub-goals. This paper presents a comprehensive review of the application of generative models in decision-making tasks. We classify seven fundamental types of generative models: energy-based models, generative adversarial networks, variational autoencoders, normalizing flows, diffusion models, generative flow networks, and autoregressive models. Regarding their applications, we categorize their functions into three main roles: controllers, modelers and optimizers, and discuss how each role contributes to decision-making. Furthermore, we examine the deployment of these models across five critical real-world decision-making scenarios. Finally, we summarize the strengths and limitations of current approaches and propose three key directions for advancing next-generation generative directive models: high-performance algorithms, large-scale generalized decision-making models, and self-evolving and adaptive models.
Authors: Laura Selicato, Flavia Esposito, Andersen Ang, Nicoletta Del Buono, Rafal Zdunek
Abstract: The selection of penalty hyperparameters is a critical aspect in Nonnegative Matrix Factorization (NMF), since these values control the trade-off between the reconstruction accuracy and the adherence to desired constraints. In this work, we focus on an NMF problem involving the Itakura-Saito (IS) divergence, effective for extracting low spectral density components from spectrograms of mixed signals, enhanced with sparsity constraints. We propose a new algorithm called SHINBO, which introduces a bi-level optimization framework to automatically and adaptively tune the row-dependent penalty hyperparameters, enhancing the ability of IS-NMF to isolate sparse, periodic signals against noise. Experimental results showed SHINBO ensures precise spectral decomposition and demonstrates superior performance in both synthetic and real-world applications. For the latter, SHINBO is particularly useful, as noninvasive vibration-based fault detection in rolling bearings, where the desired signal components often reside in high-frequency subbands but are obscured by stronger, spectrally broader noise. By addressing the critical issue of hyperparameter selection, SHINBO advances the state-of-the-art in signal recovery for complex, noise-dominated environments.
Authors: Jichen Li, Lijia Xie, Hanting Huang, Bo Zhou, Binfeng Song, Wanying Zeng, Xiaotie Deng, Xiao Zhang
Abstract: Strategic mining attacks, such as selfish mining, exploit blockchain consensus protocols by deviating from honest behavior to maximize rewards. Markov Decision Process (MDP) analysis faces scalability challenges in modern digital economics, including blockchain. To address these limitations, reinforcement learning (RL) provides a scalable alternative, enabling adaptive strategy optimization in complex dynamic environments. In this survey, we examine RL's role in strategic mining analysis, comparing it to MDP-based approaches. We begin by reviewing foundational MDP models and their limitations, before exploring RL frameworks that can learn near-optimal strategies across various protocols. Building on this analysis, we compare RL techniques and their effectiveness in deriving security thresholds, such as the minimum attacker power required for profitable attacks. Expanding the discussion further, we classify consensus protocols and propose open challenges, such as multi-agent dynamics and real-world validation. This survey highlights the potential of reinforcement learning (RL) to address the challenges of selfish mining, including protocol design, threat detection, and security analysis, while offering a strategic roadmap for researchers in decentralized systems and AI-driven analytics.
Authors: Tianhong Li, Qinyi Sun, Lijie Fan, Kaiming He
Abstract: Modularization is a cornerstone of computer science, abstracting complex functions into atomic building blocks. In this paper, we introduce a new level of modularization by abstracting generative models into atomic generative modules. Analogous to fractals in mathematics, our method constructs a new type of generative model by recursively invoking atomic generative modules, resulting in self-similar fractal architectures that we call fractal generative models. As a running example, we instantiate our fractal framework using autoregressive models as the atomic generative modules and examine it on the challenging task of pixel-by-pixel image generation, demonstrating strong performance in both likelihood estimation and generation quality. We hope this work could open a new paradigm in generative modeling and provide a fertile ground for future research. Code is available at https://github.com/LTH14/fractalgen.
Authors: Dimiter Dobrev
Abstract: We will consider all policies of the agent and will prove that one of them is the best performing policy. While that policy is not computable, computable policies do exist in its proximity. We will define AI as a computable policy which is sufficiently proximal to the best performing policy. Before we can define the agent's best performing policy, we need a language for description of the world. We will also use this language to develop a program which satisfies the AI definition. The program will first understand the world by describing it in the selected language. The program will then use the description in order to predict the future and select the best possible move. While this program is extremely inefficient and practically unusable, it can be improved by refining both the language for description of the world and the algorithm used to predict the future. This can yield a program which is both efficient and consistent with the AI definition.
Authors: Emadaldin Mozafari-Majd, Visa Koivunen
Abstract: This paper introduces a new regularized version of the robust $\tau$-regression estimator for analyzing high-dimensional datasets subject to gross contamination in the response variables and covariates. The resulting estimator, termed adaptive $\tau$-Lasso, is robust to outliers and high-leverage points. It also incorporates an adaptive $\ell_1$-norm penalty term, which enables the selection of relevant variables and reduces the bias associated with large true regression coefficients. More specifically, this adaptive $\ell_1$-norm penalty term assigns a weight to each regression coefficient. For a fixed number of predictors $p$, we show that the adaptive $\tau$-Lasso has the oracle property, ensuring both variable-selection consistency and asymptotic normality. Asymptotic normality applies only to the entries of the regression vector corresponding to the true support, assuming knowledge of the true regression vector support. We characterize its robustness by establishing the finite-sample breakdown point and the influence function. We carry out extensive simulations and observe that the class of $\tau$-Lasso estimators exhibits robustness and reliable performance in both contaminated and uncontaminated data settings. We also validate our theoretical findings on robustness properties through simulations. In the face of outliers and high-leverage points, the adaptive $\tau$-Lasso and $\tau$-Lasso estimators achieve the best performance or match the best performances of competing regularized estimators, with minimal or no loss in terms of prediction and variable selection accuracy for almost all scenarios considered in this study. Therefore, the adaptive $\tau$-Lasso and $\tau$-Lasso estimators provide attractive tools for a variety of sparse linear regression problems, particularly in high-dimensional settings and when the data is contaminated by outliers and high-leverage points.
Authors: Abhishek Ajayakumar, Soumyendu Raha
Abstract: Many real-world systems are modelled using complex ordinary differential equations (ODEs). However, the dimensionality of these systems can make them challenging to analyze. Dimensionality reduction techniques like Proper Orthogonal Decomposition (POD) can be used in such cases. However, these reduced order models are susceptible to perturbations in the input. We propose a novel framework that combines machine learning and data assimilation techniques to improving surrogate models to handle perturbations in input data effectively. Through rigorous experiments on dynamical systems modelled on graphs, we demonstrate that our framework substantially improves the accuracy of surrogate models under input perturbations. Furthermore, we evaluate the framework's efficacy on alternative surrogate models, including neural ODEs, and the empirical results consistently show enhanced performance.
Authors: Che Liu, Cheng Ouyang, Yinda Chen, Cesar C\'esar Quilodr\'an-Casas, Lei Ma, Jie Fu, Yike Guo, Anand Shah, Wenjia Bai, Rossella Arcucci
Abstract: While 3D visual self-supervised learning (vSSL) shows promising results in capturing visual representations, it overlooks the clinical knowledge from radiology reports. Meanwhile, 3D medical vision-language pre-training (MedVLP) remains underexplored due to the lack of a large-scale, publicly available 3D medical image-report dataset. To bridge this gap, we introduce **CT-3DVLP**, the first and largest **public** 3D volume-report dataset, establishing a comprehensive benchmark for 3D MedVLP research. Meanwhile, we propose the **T3D** framework, which enhances 3D MedVLP beyond naive CLIP-style alignment that directly pairs volumes with reports but neglects local visual representations. Instead, we introduce **Text-informed Multi-view Alignment (TMA)**, a novel approach that clusters volumetric data while enforcing consistency across different views of the same volume-report pair. TMA integrates textual features into fine-grained visual representations, ensuring contextual coherence across views. We evaluate T3D across multiple downstream tasks in both unimodal and cross-modal settings, including zero-shot and fine-tuned classification, cross-modal retrieval, report generation, and semantic segmentation. Our results show that T3D consistently outperforms existing vSSL and multimodal methods, demonstrating superior zero-shot and fine-tuning capabilities and setting a new benchmark for 3D medical image understanding.
Authors: Tresor Y. Koffi, Youssef Mourchid, Mohammed Hindawi, Yohan Dupuis
Abstract: Falls among individuals, especially the elderly population, can lead to serious injuries and complications. Detecting impact moments within a fall event is crucial for providing timely assistance and minimizing the negative consequences. In this work, we aim to address this challenge by applying thorough preprocessing techniques to the multisensor dataset, the goal is to eliminate noise and improve data quality. Furthermore, we employ a feature selection process to identify the most relevant features derived from the multisensor UP-FALL dataset, which in turn will enhance the performance and efficiency of machine learning models. We then evaluate the efficiency of various machine learning models in detecting the impact moment using the resulting data information from multiple sensors. Through extensive experimentation, we assess the accuracy of our approach using various evaluation metrics. Our results achieve high accuracy rates in impact detection, showcasing the power of leveraging multisensor data for fall detection tasks. This highlights the potential of our approach to enhance fall detection systems and improve the overall safety and well-being of individuals at risk of falls.
Authors: Youssef Mourchid, Rim Slama
Abstract: This paper tackles the challenge of automatically assessing physical rehabilitation exercises for patients who perform the exercises without clinician supervision. The objective is to provide a quality score to ensure correct performance and achieve desired results. To achieve this goal, a new graph-based model, the Dense Spatio-Temporal Graph Conv-GRU Network with Transformer, is introduced. This model combines a modified version of STGCN and transformer architectures for efficient handling of spatio-temporal data. The key idea is to consider skeleton data respecting its non-linear structure as a graph and detecting joints playing the main role in each rehabilitation exercise. Dense connections and GRU mechanisms are used to rapidly process large 3D skeleton inputs and effectively model temporal dynamics. The transformer encoder's attention mechanism focuses on relevant parts of the input sequence, making it useful for evaluating rehabilitation exercises. The evaluation of our proposed approach on the KIMORE and UI-PRMD datasets highlighted its potential, surpassing state-of-the-art methods in terms of accuracy and computational time. This resulted in faster and more accurate learning and assessment of rehabilitation exercises. Additionally, our model provides valuable feedback through qualitative illustrations, effectively highlighting the significance of joints in specific exercises.
Authors: Pratik Worah
Abstract: Given two labeled data-sets $\mathcal{S}$ and $\mathcal{T}$, we design a simple and efficient greedy algorithm to reweigh the loss function such that the limiting distribution of the neural network weights that result from training on $\mathcal{S}$ approaches the limiting distribution that would have resulted by training on $\mathcal{T}$. On the theoretical side, we prove that when the metric entropy of the input datasets is bounded, our greedy algorithm outputs a close to optimal reweighing, i.e., the two invariant distributions of network weights will be provably close in total variation distance. Moreover, the algorithm is simple and scalable, and we prove bounds on the efficiency of the algorithm as well. As a motivating application, we train a neural net to recognize small molecule binders to MNK2 (a MAP Kinase, responsible for cell signaling) which are non-binders to MNK1 (a highly similar protein). In our example dataset, of the 43 distinct small molecules predicted to be most selective from the enamine catalog, 2 small molecules were experimentally verified to be selective, i.e., they reduced the enzyme activity of MNK2 below 50\% but not MNK1, at 10$\mu$M -- a 5\% success rate.
Authors: Yin Mo, Lei Zhang, Yu-Ao Chen, Yingjian Liu, Tengxiang Lin, Xin Wang
Abstract: Quantum combs play a vital role in characterizing and transforming quantum processes, with wide-ranging applications in quantum information processing. However, obtaining the explicit quantum circuit for the desired quantum comb remains a challenging problem. We propose PQComb, a novel framework that employs parameterized quantum circuits (PQCs) or quantum neural networks to harness the full potential of quantum combs for diverse quantum process transformation tasks. This method is well-suited for near-term quantum devices and can be applied to various tasks in quantum machine learning. As a notable application, we present two streamlined protocols for the time-reversal simulation of unknown qubit unitary evolutions, reducing the ancilla qubit overhead from six to three compared to the previous best-known method. We also extend PQComb to solve the problems of qutrit unitary transformation and channel discrimination. Furthermore, we demonstrate the hardware efficiency and robustness of our qubit unitary inversion protocol under realistic noise simulations of IBM-Q superconducting quantum hardware, yielding a significant improvement in average similarity over the previous protocol under practical regimes. PQComb's versatility and potential for broader applications in quantum machine learning pave the way for more efficient and practical solutions to complex quantum tasks.
Authors: Marta Campi, Guillaume Staerman, Gareth W. Peters, Tomoko Matsui
Abstract: Functional Isolation Forest (FIF) is a recent state-of-the-art Anomaly Detection (AD) algorithm designed for functional data. It relies on a tree partition procedure where an abnormality score is computed by projecting each curve observation on a drawn dictionary through a linear inner product. Such linear inner product and the dictionary are a priori choices that highly influence the algorithm's performances and might lead to unreliable results, particularly with complex datasets. This work addresses these challenges by introducing \textit{Signature Isolation Forest}, a novel AD algorithm class leveraging the rough path theory's signature transform. Our objective is to remove the constraints imposed by FIF through the proposition of two algorithms which specifically target the linearity of the FIF inner product and the choice of the dictionary. We provide several numerical experiments, including a real-world applications benchmark showing the relevance of our methods.
Authors: Philip Harris, Michael Kagan, Jeffrey Krupa, Benedikt Maier, Nathaniel Woodward
Abstract: Self-Supervised Learning (SSL) is at the core of training modern large machine learning models, providing a scheme for learning powerful representations that can be used in a variety of downstream tasks. However, SSL strategies must be adapted to the type of training data and downstream tasks required. We propose RS3L ("Re-simulation-based self-supervised representation learning"), a novel simulation-based SSL strategy that employs a method of re-simulation to drive data augmentation for contrastive learning in the physical sciences, particularly, in fields that rely on stochastic simulators. By intervening in the middle of the simulation process and re-running simulation components downstream of the intervention, we generate multiple realizations of an event, thus producing a set of augmentations covering all physics-driven variations available in the simulator. Using experiments from high-energy physics, we explore how this strategy may enable the development of a foundation model; we show how RS3L pre-training enables powerful performance in downstream tasks such as discrimination of a variety of objects and uncertainty mitigation. In addition to our results, we make the RS3L dataset publicly available for further studies on how to improve SSL strategies.
Authors: Kyla Levin, Nicolas van Kempen, Emery D. Berger, Stephen N. Freund
Abstract: Debugging is a critical but challenging task for programmers. This paper proposes ChatDBG, an AI-powered debugging assistant. ChatDBG integrates large language models (LLMs) to significantly enhance the capabilities and user-friendliness of conventional debuggers. ChatDBG lets programmers engage in a collaborative dialogue with the debugger, allowing them to pose complex questions about program state, perform root cause analysis for crashes or assertion failures, and explore open-ended queries like `why is x null?'. To handle these queries, ChatDBG grants the LLM autonomy to "take the wheel": it can act as an independent agent capable of querying and controlling the debugger to navigate through stacks and inspect program state. It then reports its findings and yields back control to the programmer. By leveraging the real-world knowledge embedded in LLMs, ChatDBG can diagnose issues identifiable only through the use of domain-specific reasoning. Our ChatDBG prototype integrates with standard debuggers including LLDB and GDB for native code and Pdb for Python. Our evaluation across a diverse set of code, including C/C++ code with known bugs and a suite of Python code including standalone scripts and Jupyter notebooks, demonstrates that ChatDBG can successfully analyze root causes, explain bugs, and generate accurate fixes for a wide range of real-world errors. For the Python programs, a single query led to an actionable bug fix 67% of the time; one additional follow-up query increased the success rate to 85%. ChatDBG has seen rapid uptake; it has already been downloaded more than 65,000 times.
Authors: Yuqing Wang, Mika V. M\"antyl\"a, Serge Demeyer, Mutlu Beyazit, Joanna Kisaakye, Jesse Nyyss\"ol\"a
Abstract: Microservice-based systems (MSS) may fail with various fault types. While existing AIOps methods excel at detecting abnormal traces and locating the responsible service(s), human efforts are still required for diagnosing specific fault types and failure causes.This paper presents TraFaultDia, a novel AIOps framework to automatically classify abnormal traces into fault categories for MSS. We treat the classification process as a series of multi-class classification tasks, where each task represents an attempt to classify abnormal traces into specific fault categories for a MSS. TraFaultDia leverages meta-learning to train on several abnormal trace classification tasks with a few labeled instances from a MSS, enabling quick adaptation to new, unseen abnormal trace classification tasks with a few labeled instances across MSS. TraFaultDia's use cases are scalable depending on how fault categories are built from anomalies within MSS. We evaluated TraFaultDia on two MSS, TrainTicket and OnlineBoutique, with open datasets where each fault category is linked to faulty system components (service/pod) and a root cause. TraFaultDia automatically classifies abnormal traces into these fault categories, thus enabling the automatic identification of faulty system components and root causes without manual analysis. TraFaultDia achieves 93.26% and 85.20% accuracy on 50 new classification tasks for TrainTicket and OnlineBoutique, respectively, when trained within the same MSS with 10 labeled instances per category. In the cross-system context, when TraFaultDia is applied to a MSS different from the one it is trained on, TraFaultDia gets an average accuracy of 92.19% and 84.77% for the same set of 50 new, unseen abnormal trace classification tasks of the respective systems, also with 10 labeled instances provided for each fault category per task in each system.
Authors: Jan Klhufek, Miroslav Safar, Vojtech Mrazek, Zdenek Vasicek, Lukas Sekanina
Abstract: Energy efficiency and memory footprint of a convolutional neural network (CNN) implemented on a CNN inference accelerator depend on many factors, including a weight quantization strategy (i.e., data types and bit-widths) and mapping (i.e., placement and scheduling of DNN elementary operations on hardware units of the accelerator). We show that enabling rich mixed quantization schemes during the implementation can open a previously hidden space of mappings that utilize the hardware resources more effectively. CNNs utilizing quantized weights and activations and suitable mappings can significantly improve trade-offs among the accuracy, energy, and memory requirements compared to less carefully optimized CNN implementations. To find, analyze, and exploit these mappings, we: (i) extend a general-purpose state-of-the-art mapping tool (Timeloop) to support mixed quantization, which is not currently available; (ii) propose an efficient multi-objective optimization algorithm to find the most suitable bit-widths and mapping for each DNN layer executed on the accelerator; and (iii) conduct a detailed experimental evaluation to validate the proposed method. On two CNNs (MobileNetV1 and MobileNetV2) and two accelerators (Eyeriss and Simba) we show that for a given quality metric (such as the accuracy on ImageNet), energy savings are up to 37% without any accuracy drop.
Authors: Nayantara Mudur, Carolina Cuesta-Lazaro, Douglas P. Finkbeiner
Abstract: Diffusion generative models have excelled at diverse image generation and reconstruction tasks across fields. A less explored avenue is their application to discriminative tasks involving regression or classification problems. The cornerstone of modern cosmology is the ability to generate predictions for observed astrophysical fields from theory and constrain physical models from observations using these predictions. This work uses a single diffusion generative model to address these interlinked objectives -- as a surrogate model or emulator for cold dark matter density fields conditional on input cosmological parameters, and as a parameter inference model that solves the inverse problem of constraining the cosmological parameters of an input field. The model is able to emulate fields with summary statistics consistent with those of the simulated target distribution. We then leverage the approximate likelihood of the diffusion generative model to derive tight constraints on cosmology by using the Hamiltonian Monte Carlo method to sample the posterior on cosmological parameters for a given test image. Finally, we demonstrate that this parameter inference approach is more robust to small perturbations of noise to the field than baseline parameter inference networks.
Authors: Marco Bornstein, Amrit Singh Bedi, Abdirisak Mohamed, Furong Huang
Abstract: Standard federated learning (FL) approaches are vulnerable to the free-rider dilemma: participating agents can contribute little to nothing yet receive a well-trained aggregated model. While prior mechanisms attempt to solve the free-rider dilemma, none have addressed the issue of truthfulness. In practice, adversarial agents can provide false information to the server in order to cheat its way out of contributing to federated training. In an effort to make free-riding-averse federated mechanisms truthful, and consequently less prone to breaking down in practice, we propose FACT. FACT is the first federated mechanism that: (1) eliminates federated free riding by using a penalty system, (2) ensures agents provide truthful information by creating a competitive environment, and (3) encourages agent participation by offering better performance than training alone. Empirically, FACT avoids free-riding when agents are untruthful, and reduces agent loss by over 4x.
Authors: Chankyu Lee, Rajarshi Roy, Mengyao Xu, Jonathan Raiman, Mohammad Shoeybi, Bryan Catanzaro, Wei Ping
Abstract: Decoder-only LLM-based embedding models are beginning to outperform BERT or T5-based embedding models in general-purpose text embedding tasks, including dense vector-based retrieval. In this work, we introduce NV-Embed, incorporating architectural designs, training procedures, and curated datasets to significantly enhance the performance of LLM as a versatile embedding model, while maintaining its simplicity and reproducibility. For model architecture, we propose a latent attention layer to obtain pooled embeddings, which consistently improves retrieval and downstream task accuracy compared to mean pooling or using the last
Authors: Akio Hayakawa, Masato Ishii, Takashi Shibuya, Yuki Mitsufuji
Abstract: This study aims to construct an audio-video generative model with minimal computational cost by leveraging pre-trained single-modal generative models for audio and video. To achieve this, we propose a novel method that guides single-modal models to cooperatively generate well-aligned samples across modalities. Specifically, given two pre-trained base diffusion models, we train a lightweight joint guidance module to adjust scores separately estimated by the base models to match the score of joint distribution over audio and video. We show that this guidance can be computed using the gradient of the optimal discriminator, which distinguishes real audio-video pairs from fake ones independently generated by the base models. Based on this analysis, we construct a joint guidance module by training this discriminator. Additionally, we adopt a loss function to stabilize the discriminator's gradient and make it work as a noise estimator, as in standard diffusion models. Empirical evaluations on several benchmark datasets demonstrate that our method improves both single-modal fidelity and multimodal alignment with relatively few parameters. The code is available at: https://github.com/SonyResearch/MMDisCo.
Authors: Marco S\"alzer, Eric Alsmann, Martin Lange
Abstract: We analyse the complexity of the satisfiability problem, or similarly feasibility problem, (trSAT) for transformer encoders (TE), which naturally occurs in formal verification or interpretation, collectively referred to as formal reasoning. We find that trSAT is undecidable when considering TE as they are commonly studied in the expressiveness community. Furthermore, we identify practical scenarios where trSAT is decidable and establish corresponding complexity bounds. Beyond trivial cases, we find that quantized TE, those restricted by fixed-width arithmetic, lead to the decidability of trSAT due to their limited attention capabilities. However, the problem remains difficult, as we establish scenarios where trSAT is NEXPTIME-hard and others where it is solvable in NEXPTIME for quantized TE. To complement our complexity results, we place our findings and their implications in the broader context of formal reasoning.
Authors: Dujian Ding, Bicheng Xu, Laks V. S. Lakshmanan
Abstract: Classification tasks play a fundamental role in various applications, spanning domains such as healthcare, natural language processing and computer vision. With the growing popularity and capacity of machine learning models, people can easily access trained classifiers as a service online or offline. However, model use comes with a cost and classifiers of higher capacity (such as large foundation models) usually incur higher inference costs. To harness the respective strengths of different classifiers, we propose a principled approach, OCCAM, to compute the best classifier assignment strategy over classification queries (termed as the optimal model portfolio) so that the aggregated accuracy is maximized, under user-specified cost budgets. Our approach uses an unbiased and low-variance accuracy estimator and effectively computes the optimal solution by solving an integer linear programming problem. On a variety of real-world datasets, OCCAM achieves 40% cost reduction with little to no accuracy drop.
Authors: Archit Patke, Dhemath Reddy, Saurabh Jha, Haoran Qiu, Christian Pinto, Chandra Narayanaswami, Zbigniew Kalbarczyk, Ravishankar Iyer
Abstract: Large language model (LLM) serving is becoming an increasingly critical workload for cloud providers. Existing LLM serving systems focus on interactive requests, such as chatbots and coding assistants, with tight latency SLO requirements. However, when such systems execute batch requests that have relaxed SLOs along with interactive requests, it leads to poor multiplexing and inefficient resource utilization. To address these challenges, we propose QLM, a queue management system for LLM serving. QLM maintains batch and interactive requests across different models and SLOs in a request queue. Optimal ordering of the request queue is critical to maintain SLOs while ensuring high resource utilization. To generate this optimal ordering, QLM uses a Request Waiting Time (RWT) Estimator that estimates the waiting times for requests in the request queue. These estimates are used by a global scheduler to orchestrate LLM Serving Operations (LSOs) such as request pulling, request eviction, load balancing, and model swapping. Evaluation on heterogeneous GPU devices and models with real-world LLM serving dataset shows that QLM improves SLO attainment by 40-90% and throughput by 20-400% while maintaining or improving device utilization compared to other state-of-the-art LLM serving systems. QLM's evaluation is based on the production requirements of a cloud provider. QLM is publicly available at https://www.github.com/QLM-project/QLM.
Authors: Weiwei Xu, Kai Gao, Hao He, Minghui Zhou
Abstract: Recent advances in Large Language Models (LLMs) have revolutionized code generation, leading to widespread adoption of AI coding tools by developers. However, LLMs can generate license-protected code without providing the necessary license information, leading to potential intellectual property violations during software production. This paper addresses the critical, yet underexplored, issue of license compliance in LLM-generated code by establishing a benchmark to evaluate the ability of LLMs to provide accurate license information for their generated code. To establish this benchmark, we conduct an empirical study to identify a reasonable standard for "striking similarity" that excludes the possibility of independent creation, indicating a copy relationship between the LLM output and certain open-source code. Based on this standard, we propose LiCoEval, to evaluate the license compliance capabilities of LLMs, i.e., the ability to provide accurate license or copyright information when they generate code with striking similarity to already existing copyrighted code. Using LiCoEval, we evaluate 14 popular LLMs, finding that even top-performing LLMs produce a non-negligible proportion (0.88% to 2.01%) of code strikingly similar to existing open-source implementations. Notably, most LLMs fail to provide accurate license information, particularly for code under copyleft licenses. These findings underscore the urgent need to enhance LLM compliance capabilities in code generation tasks. Our study provides a foundation for future research and development to improve license compliance in AI-assisted software development, contributing to both the protection of open-source software copyrights and the mitigation of legal risks for LLM users.
Authors: Di Chen, Jia Li, H. Michael Zhang
Abstract: Cooperation is a ubiquitous phenomenon in many natural, social, and engineered systems with multiple agents. Understanding the formation of cooperation in mixed traffic is of theoretical interest in its own right, and could also benefit the design and operations of future automated and mixed-autonomy transportation systems. However, how cooperativeness of driving agents can be defined and identified from empirical data seems ambiguous and this hinders further empirical characterizations of the phenomenon and revealing its behavior mechanisms. Towards mitigating this gap, in this paper, we propose a unified conceptual framework to identify collective cooperativeness of driving agents. This framework expands the concept of collective rationality from our recent model (Li et al. 2022a), making it empirically identifiable and behaviorally interpretable in realistic (microscopic and dynamic) settings. This framework integrates mixed traffic observations at both microscopic and macroscopic scales to estimate critical behavioral parameters that describe the collective cooperativeness of driving agents. Applying this framework to NGSIM I-80 trajectory data, we empirically confirm the existence of collective cooperation and quantify the condition and likelihood of its emergence. This study provides the first empirical understanding of collective cooperativeness in human-driven mixed traffic and points to new possibilities to manage mixed autonomy traffic systems.
Authors: Md Awsafur Rahman, Zaber Ibn Abdul Hakim, Najibul Haque Sarker, Bishmoy Paul, Shaikh Anowarul Fattah
Abstract: The recent surge in AI-generated songs presents exciting possibilities and challenges. These innovations necessitate the ability to distinguish between human-composed and synthetic songs to safeguard artistic integrity and protect human musical artistry. Existing research and datasets in fake song detection only focus on singing voice deepfake detection (SVDD), where the vocals are AI-generated but the instrumental music is sourced from real songs. However, these approaches are inadequate for detecting contemporary end-to-end artificial songs where all components (vocals, music, lyrics, and style) could be AI-generated. Additionally, existing datasets lack music-lyrics diversity, long-duration songs, and open-access fake songs. To address these gaps, we introduce SONICS, a novel dataset for end-to-end Synthetic Song Detection (SSD), comprising over 97k songs (4,751 hours) with over 49k synthetic songs from popular platforms like Suno and Udio. Furthermore, we highlight the importance of modeling long-range temporal dependencies in songs for effective authenticity detection, an aspect entirely overlooked in existing methods. To utilize long-range patterns, we introduce SpecTTTra, a novel architecture that significantly improves time and memory efficiency over conventional CNN and Transformer-based models. For long songs, our top-performing variant outperforms ViT by 8% in F1 score, is 38% faster, and uses 26% less memory, while also surpassing ConvNeXt with a 1% F1 score gain, 20% speed boost, and 67% memory reduction.
Authors: Elisabeth Fischer, Albin Zehe, Andreas Hotho, Daniel Schl\"or
Abstract: Analyzing sequences of interactions between users and items, sequential recommendation models can learn user intent and make predictions about the next item. Next to item interactions, most systems also have interactions with what we call non-item pages: these pages are not related to specific items but still can provide insights into the user's interests, as, for example, navigation pages. We therefore propose a general way to include these non-item pages in sequential recommendation models to enhance next-item prediction. First, we demonstrate the influence of non-item pages on following interactions using the hypotheses testing framework HypTrails and propose methods for representing non-item pages in sequential recommendation models. Subsequently, we adapt popular sequential recommender models to integrate non-item pages and investigate their performance with different item representation strategies as well as their ability to handle noisy data. To show the general capabilities of the models to integrate non-item pages, we create a synthetic dataset for a controlled setting and then evaluate the improvements from including non-item pages on two real-world datasets. Our results show that non-item pages are a valuable source of information, and incorporating them in sequential recommendation models increases the performance of next-item prediction across all analyzed model architectures.
Authors: Shengpeng Ji, Ziyue Jiang, Wen Wang, Yifu Chen, Minghui Fang, Jialong Zuo, Qian Yang, Xize Cheng, Zehan Wang, Ruiqi Li, Ziang Zhang, Xiaoda Yang, Rongjie Huang, Yidi Jiang, Qian Chen, Siqi Zheng, Zhou Zhao
Abstract: Language models have been effectively applied to modeling natural signals, such as images, video, speech, and audio. A crucial component of these models is the codec tokenizer, which compresses high-dimensional natural signals into lower-dimensional discrete tokens. In this paper, we introduce WavTokenizer, which offers several advantages over previous SOTA acoustic codec models in the audio domain: 1)extreme compression. By compressing the layers of quantizers and the temporal dimension of the discrete codec, one-second audio of 24kHz sampling rate requires only a single quantizer with 40 or 75 tokens. 2)improved subjective quality. Despite the reduced number of tokens, WavTokenizer achieves state-of-the-art reconstruction quality with outstanding UTMOS scores and inherently contains richer semantic information. Specifically, we achieve these results by designing a broader VQ space, extended contextual windows, and improved attention networks, as well as introducing a powerful multi-scale discriminator and an inverse Fourier transform structure. We conducted extensive reconstruction experiments in the domains of speech, audio, and music. WavTokenizer exhibited strong performance across various objective and subjective metrics compared to state-of-the-art models. We also tested semantic information, VQ utilization, and adaptability to generative models. Comprehensive ablation studies confirm the necessity of each module in WavTokenizer. The related code, demos, and pre-trained models are available at https://github.com/jishengpeng/WavTokenizer.
Authors: Abdalwhab Abdalwhab, Giovanni Beltrame, Samira Ebrahimi Kahou, David St-Onge
Abstract: Robotics can help address the growing worker shortage challenge of the manufacturing industry. As such, machine tending is a task collaborative robots can tackle that can also highly boost productivity. Nevertheless, existing robotics systems deployed in that sector rely on a fixed single-arm setup, whereas mobile robots can provide more flexibility and scalability. In this work, we introduce a multi-agent multi-machine tending learning framework by mobile robots based on Multi-agent Reinforcement Learning (MARL) techniques with the design of a suitable observation and reward. Moreover, an attention-based encoding mechanism is developed and integrated into Multi-agent Proximal Policy Optimization (MAPPO) algorithm to boost its performance for machine tending scenarios. Our model (AB-MAPPO) outperformed MAPPO in this new challenging scenario in terms of task success, safety, and resources utilization. Furthermore, we provided an extensive ablation study to support our various design decisions.
Authors: Jackson Petty, Sjoerd van Steenkiste, Tal Linzen
Abstract: Large language models are increasingly trained on corpora containing both natural language and non-linguistic data like source code. Aside from aiding programming-related tasks, anecdotal evidence suggests that including code in pretraining corpora may improve performance on other, unrelated tasks, yet to date no work has been able to establish a causal connection by controlling between language and code data. Here we do just this. We pretrain language models on datasets which interleave natural language and code in two different settings: additive, in which the total volume of data seen during pretraining is held constant; and competitive, in which the volume of language data is held constant. We study how the pretraining mixture affects performance on (a) a diverse collection of tasks included in the BigBench benchmark, and (b) compositionality, measured by generalization accuracy on semantic parsing and syntactic transformations. We find that pretraining on higher proportions of code improves performance on compositional tasks involving structured output (like semantic parsing), and mathematics. Conversely, increase code mixture can harm performance on other tasks, including on tasks that requires sensitivity to linguistic structure such as syntax or morphology, and tasks measuring real-world knowledge.
Authors: Rishi Kalra, Zekun Wu, Ayesha Gulley, Airlie Hilliard, Xin Guan, Adriano Koshiyama, Philip Treleaven
Abstract: Large Language Models (LLMs) face limitations in AI legal and policy applications due to outdated knowledge, hallucinations, and poor reasoning in complex contexts. Retrieval-Augmented Generation (RAG) systems address these issues by incorporating external knowledge, but suffer from retrieval errors, ineffective context integration, and high operational costs. This paper presents the Hybrid Parameter-Adaptive RAG (HyPA-RAG) system, designed for the AI legal domain, with NYC Local Law 144 (LL144) as the test case. HyPA-RAG integrates a query complexity classifier for adaptive parameter tuning, a hybrid retrieval approach combining dense, sparse, and knowledge graph methods, and a comprehensive evaluation framework with tailored question types and metrics. Testing on LL144 demonstrates that HyPA-RAG enhances retrieval accuracy, response fidelity, and contextual precision, offering a robust and adaptable solution for high-stakes legal and policy applications.
Authors: Zhenyan Lu, Xiang Li, Dongqi Cai, Rongjie Yi, Fangming Liu, Xiwen Zhang, Nicholas D. Lane, Mengwei Xu
Abstract: Small language models (SLMs), despite their widespread adoption in modern smart devices, have received significantly less academic attention compared to their large language model (LLM) counterparts, which are predominantly deployed in data centers and cloud environments. While researchers continue to improve the capabilities of LLMs in the pursuit of artificial general intelligence, SLM research aims to make machine intelligence more accessible, affordable, and efficient for everyday tasks. Focusing on transformer-based, decoder-only language models with 100M-5B parameters, we survey 70 state-of-the-art open-source SLMs, analyzing their technical innovations across three axes: architectures, training datasets, and training algorithms. In addition, we evaluate their capabilities in various domains, including commonsense reasoning, in-context learning, mathematics, and coding. To gain further insight into their on-device runtime costs, we benchmark their inference latency and memory footprints. Through in-depth analysis of our benchmarking data, we offer valuable insights to advance research in this field.
Authors: Ziyu Wang, Hao Li, Di Huang, Hye-Sung Kim, Chae-Won Shin, Amir M. Rahmani
Abstract: Effective patient care in digital healthcare requires large language models (LLMs) that not only answer questions but also actively gather critical information through well-crafted inquiries. This paper introduces HealthQ, a novel framework for evaluating the questioning capabilities of LLM healthcare chains. By implementing advanced LLM chains, including Retrieval-Augmented Generation (RAG), Chain of Thought (CoT), and reflective chains, HealthQ assesses how effectively these chains elicit comprehensive and relevant patient information. To achieve this, we integrate an LLM judge to evaluate generated questions across metrics such as specificity, relevance, and usefulness, while aligning these evaluations with traditional Natural Language Processing (NLP) metrics like ROUGE and Named Entity Recognition (NER)-based set comparisons. We validate HealthQ using two custom datasets constructed from public medical datasets, ChatDoctor and MTS-Dialog, and demonstrate its robustness across multiple LLM judge models, including GPT-3.5, GPT-4, and Claude. Our contributions are threefold: we present the first systematic framework for assessing questioning capabilities in healthcare conversations, establish a model-agnostic evaluation methodology, and provide empirical evidence linking high-quality questions to improved patient information elicitation.
Authors: Juno Nam, Sulin Liu, Gavin Winter, KyuJung Jun, Soojung Yang, Rafael G\'omez-Bombarelli
Abstract: We introduce LiFlow, a generative framework to accelerate molecular dynamics (MD) simulations for crystalline materials that formulates the task as conditional generation of atomic displacements. The model uses flow matching, with a Propagator submodel to generate atomic displacements and a Corrector to locally correct unphysical geometries, and incorporates an adaptive prior based on the Maxwell-Boltzmann distribution to account for chemical and thermal conditions. We benchmark LiFlow on a dataset comprising 25-ps trajectories of lithium diffusion across 4,186 solid-state electrolyte (SSE) candidates at four temperatures. The model obtains a consistent Spearman rank correlation of 0.7-0.8 for lithium mean squared displacement (MSD) predictions on unseen compositions. Furthermore, LiFlow generalizes from short training trajectories to larger supercells and longer simulations while maintaining high accuracy. With speed-ups of up to 600,000$\times$ compared to first-principles methods, LiFlow enables scalable simulations at significantly larger length and time scales.
Authors: Xinyuan Wang, Haozhou Li, Dingfang Zheng, Qinke Peng
Abstract: The global COVID-19 pandemic underscored major deficiencies in traditional healthcare systems, hastening the advancement of online medical services, especially in medical triage and consultation. However, existing studies face two main challenges. First, the scarcity of large-scale, publicly available, domain-specific medical datasets due to privacy concerns, with current datasets being small and limited to a few diseases, limiting the effectiveness of triage methods based on Pre-trained Language Models (PLMs). Second, existing methods lack medical knowledge and struggle to accurately understand professional terms and expressions in patient-doctor consultations. To overcome these obstacles, we construct the Large-scale Chinese Medical Dialogue Corpora (LCMDC), thereby addressing the data shortage in this field. Moreover, we further propose a novel triage system that combines BERT-based supervised learning with prompt learning, as well as a GPT-based medical consultation model. To enhance domain knowledge acquisition, we pre-trained PLMs using our self-constructed background corpus. Experimental results on the LCMDC demonstrate the efficacy of our proposed systems.
Authors: Byoungwoo Park, Hyungi Lee, Juho Lee
Abstract: Many real-world datasets, such as healthcare, climate, and economics, are often collected as irregular time series, which poses challenges for accurate modeling. In this paper, we propose the Amortized Control of continuous State Space Model (ACSSM) for continuous dynamical modeling of time series for irregular and discrete observations. We first present a multi-marginal Doob's $h$-transform to construct a continuous dynamical system conditioned on these irregular observations. Following this, we introduce a variational inference algorithm with a tight evidence lower bound (ELBO), leveraging stochastic optimal control (SOC) theory to approximate the intractable Doob's $h$-transform and simulate the conditioned dynamics. To improve efficiency and scalability during both training and inference, ACSSM employs amortized inference to decouple representation learning from the latent dynamics. Additionally, it incorporates a simulation-free latent dynamics framework and a transformer-based data assimilation scheme, facilitating parallel inference of the latent states and ELBO computation. Through empirical evaluations across a variety of real-world datasets, ACSSM demonstrates superior performance in tasks such as classification, regression, interpolation, and extrapolation, while maintaining computational efficiency.
Authors: Jiayi Zhang, Jinyu Xiang, Zhaoyang Yu, Fengwei Teng, Xionghui Chen, Jiaqi Chen, Mingchen Zhuge, Xin Cheng, Sirui Hong, Jinlin Wang, Bingnan Zheng, Bang Liu, Yuyu Luo, Chenglin Wu
Abstract: Large language models (LLMs) have demonstrated remarkable potential in solving complex tasks across diverse domains, typically by employing agentic workflows that follow detailed instructions and operational sequences. However, constructing these workflows requires significant human effort, limiting scalability and generalizability. Recent research has sought to automate the generation and optimization of these workflows, but existing methods still rely on initial manual setup and fall short of achieving fully automated and effective workflow generation. To address this challenge, we reformulate workflow optimization as a search problem over code-represented workflows, where LLM-invoking nodes are connected by edges. We introduce AFlow, an automated framework that efficiently explores this space using Monte Carlo Tree Search, iteratively refining workflows through code modification, tree-structured experience, and execution feedback. Empirical evaluations across six benchmark datasets demonstrate AFlow's efficacy, yielding a 5.7% average improvement over state-of-the-art baselines. Furthermore, AFlow enables smaller models to outperform GPT-4o on specific tasks at 4.55% of its inference cost in dollars. The code will be available at https://github.com/geekan/MetaGPT.
Authors: Hanti Lin
Abstract: This article reviews and develops an epistemological tradition in the philosophy of science, known as convergentism, which holds that inference methods should be assessed based on their ability to converge to the truth across a range of possible scenarios. Emphasis is placed on its historical origins in the work of C. S. Peirce and its recent developments in formal epistemology and data science (including statistics and machine learning). Comparisons are made with three other traditions: (1) explanationism, which holds that theory choice should be guided by a theory's overall balance of explanatory virtues, such as simplicity and fit with data; (2) instrumentalism, which maintains that scientific inference should be driven by the goal of obtaining useful models rather than true theories; and (3) Bayesianism, which shifts the focus from all-or-nothing beliefs to degrees of belief.
Authors: Mitsuhiko Nakamoto, Oier Mees, Aviral Kumar, Sergey Levine
Abstract: Large, general-purpose robotic policies trained on diverse demonstration datasets have been shown to be remarkably effective both for controlling a variety of robots in a range of different scenes, and for acquiring broad repertoires of manipulation skills. However, the data that such policies are trained on is generally of mixed quality -- not only are human-collected demonstrations unlikely to perform the task perfectly, but the larger the dataset is, the harder it is to curate only the highest quality examples. It also remains unclear how optimal data from one embodiment is for training on another embodiment. In this paper, we present a general and broadly applicable approach that enhances the performance of such generalist robot policies at deployment time by re-ranking their actions according to a value function learned via offline RL. This approach, which we call Value-Guided Policy Steering (V-GPS), is compatible with a wide range of different generalist policies, without needing to fine-tune or even access the weights of the policy. We show that the same value function can improve the performance of five different state-of-the-art policies with different architectures, even though they were trained on distinct datasets, attaining consistent performance improvement on multiple robotic platforms across a total of 12 tasks. Code and videos can be found at: https://nakamotoo.github.io/V-GPS
Authors: Maxence Noble, Louis Grenioux, Marylou Gabri\'e, Alain Oliviero Durmus
Abstract: Over the past few years, several approaches utilizing score-based diffusion have been proposed to sample from probability distributions, that is without having access to exact samples and relying solely on evaluations of unnormalized densities. The resulting samplers approximate the time-reversal of a noising diffusion process, bridging the target distribution to an easy-to-sample base distribution. In practice, the performance of these methods heavily depends on key hyperparameters that require ground truth samples to be accurately tuned. Our work aims to highlight and address this fundamental issue, focusing in particular on multi-modal distributions, which pose significant challenges for existing sampling methods. Building on existing approaches, we introduce Learned Reference-based Diffusion Sampler (LRDS), a methodology specifically designed to leverage prior knowledge on the location of the target modes in order to bypass the obstacle of hyperparameter tuning. LRDS proceeds in two steps by (i) learning a reference diffusion model on samples located in high-density space regions and tailored for multimodality, and (ii) using this reference model to foster the training of a diffusion-based sampler. We experimentally demonstrate that LRDS best exploits prior knowledge on the target distribution compared to competing algorithms on a variety of challenging distributions.
Authors: Antonia W\"ust, Tim Tobiasch, Lukas Helff, Inga Ibs, Wolfgang Stammer, Devendra S. Dhami, Constantin A. Rothkopf, Kristian Kersting
Abstract: Recently, newly developed Vision-Language Models (VLMs), such as OpenAI's o1, have emerged, seemingly demonstrating advanced reasoning capabilities across text and image modalities. However, the depth of these advances in language-guided perception and abstract reasoning remains underexplored, and it is unclear whether these models can truly live up to their ambitious promises. To assess the progress and identify shortcomings, we enter the wonderland of Bongard problems, a set of classic visual reasoning puzzles that require human-like abilities of pattern recognition and abstract reasoning. With our extensive evaluation setup, we show that while VLMs occasionally succeed in identifying discriminative concepts and solving some of the problems, they frequently falter. Surprisingly, even elementary concepts that may seem trivial to humans, such as simple spirals, pose significant challenges. Moreover, when explicitly asked to recognize ground truth concepts, they continue to falter, suggesting not only a lack of understanding of these elementary visual concepts but also an inability to generalize to unseen concepts. We compare the results of VLMs to human performance and observe that a significant gap remains between human visual reasoning capabilities and machine cognition.
Authors: Ali Reza Ibrahimzada, Kaiyao Ke, Mrigank Pawagi, Muhammad Salman Abid, Rangeet Pan, Saurabh Sinha, Reyhaneh Jabbarvand
Abstract: Code translation transforms programs from one programming language (PL) to another. Several rule-based transpilers have been designed to automate code translation between different pairs of PLs. However, the rules can become obsolete as the PLs evolve and cannot generalize to other PLs. Recent studies have explored the automation of code translation using Large Language Models (LLMs). One key observation is that such techniques may work well for crafted benchmarks but fail to generalize to the scale and complexity of real-world projects with dependencies, custom types, PL-specific features, etc. We propose AlphaTrans, a neuro-symbolic approach to automate repository-level code translation. AlphaTrans translates both source and test code, and employs multiple levels of validation to ensure the translation preserves the functionality of the source program. To break down the problem for LLMs, AlphaTrans leverages program analysis to decompose the program into fragments and translates them in the reverse call order. We leveraged AlphaTrans to translate ten real-world open-source projects consisting of <836, 8575, 2719> classes, methods, and tests. AlphaTrans breaks down these projects into 17874 fragments and translates the entire repository. 96.40% of the translated fragments are syntactically correct, and AlphaTrans validates the translations' runtime behavior and functional correctness for 27.03% and 25.14% of fragments. On average, the integrated translation and validation take 34 hours to translate a project, showing its scalability in practice. For the incorrect translations, AlphaTrans generates a report including existing translation, stack trace, test errors, or assertion failures. We provided these artifacts to two developers to fix the translation bugs in four projects. They were able to fix the issues in 20.1 hours on average and achieve all passing tests.
Authors: Koichi Namekata, Sherwin Bahmani, Ziyi Wu, Yash Kant, Igor Gilitschenski, David B. Lindell
Abstract: Methods for image-to-video generation have achieved impressive, photo-realistic quality. However, adjusting specific elements in generated videos, such as object motion or camera movement, is often a tedious process of trial and error, e.g., involving re-generating videos with different random seeds. Recent techniques address this issue by fine-tuning a pre-trained model to follow conditioning signals, such as bounding boxes or point trajectories. Yet, this fine-tuning procedure can be computationally expensive, and it requires datasets with annotated object motion, which can be difficult to procure. In this work, we introduce SG-I2V, a framework for controllable image-to-video generation that is self-guided$\unicode{x2013}$offering zero-shot control by relying solely on the knowledge present in a pre-trained image-to-video diffusion model without the need for fine-tuning or external knowledge. Our zero-shot method outperforms unsupervised baselines while significantly narrowing down the performance gap with supervised models in terms of visual quality and motion fidelity. Additional details and video results are available on our project page: https://kmcode1.github.io/Projects/SG-I2V
Authors: Jonathan Light, Yue Wu, Yiyou Sun, Wenchao Yu, Yanchi liu, Xujiang Zhao, Ziniu Hu, Haifeng Chen, Wei Cheng
Abstract: We frame code generation as a black-box optimization problem within the code space and demonstrate how optimization-inspired techniques can enhance inference scaling. Based on this perspective, we propose SCATTERED FOREST SEARCH (SFS), a novel approach that improves solution diversity and better exploits feedback during evolutionary search. Our theoretical analysis illustrates how these methods help avoid local optima during optimization, leading to more efficient exploration. Extensive experiments on HumanEval, MBPP, APPS, CodeContests, and Leetcode reveal significant performance gains. For instance, our method achieves a pass@1 rate of 67.1% on HumanEval+ and 87.2% on HumanEval with GPT-3.5, marking improvements of 8.6% and 4.3% over the state-of-the-art, while also halving the iterations needed to find the correct solution. Furthermore, our approach scales more efficiently than existing search techniques, including tree search, line search, and repeated sampling.
Authors: Runming Yang, Taiqiang Wu, Jiahao Wang, Pengfei Hu, Yik-Chung Wu, Ngai Wong, Yujiu Yang
Abstract: Knowledge distillation (KD) has been a predominant method for compressing Large Language Models (LLMs). In this paper, we first revisit KD and Low-Rank Adaption (LoRA) and demonstrate that they follow the same paradigm. Inspired by this observation, we propose a parameter-efficient knowledge distillation method, LLM-NEO, which integrates LoRA into KD to improve the efficiency of knowledge transfer. After that, we summarize some valuable guidelines for the hyperparameters in LLM-NEO. Experimental results on compressing Llama 2 and Llama 3.2 show that LLM-NEO outperforms various baselines. Further analysis demonstrates the robustness of the proposed LLM-NEO on variants of LoRA. The code and trained models are available at [Github](https://github.com/yang3121099/LLM-Neo).
Authors: An Wang, Li Zou
Abstract: We propose a unified framework based on persistent homology (PH) to characterize both local and global structures in disordered systems. It can simultaneously generate local and global descriptors using the same algorithm and data structure, and has shown to be highly effective and interpretable in predicting particle rearrangements and classifying global phases. We also demonstrated that using a single variable enables a linear SVM to achieve nearly perfect three-phase classification. Inspired by this discovery, we define a non-parametric metric, the Separation Index (SI), which not only achieves this classification without sacrificing significant performance but also establishes a connection between particle environments and the global phase structure. Our methods provide an effective framework for understanding and analyzing the properties of disordered materials, with broad potential applications in materials science and even wider studies of complex systems.
Authors: Pura Peetathawatchai, Wei-Ning Chen, Berivan Isik, Sanmi Koyejo, Albert No
Abstract: We introduce a novel method for adapting diffusion models under differential privacy (DP) constraints, enabling privacy-preserving style and content transfer without fine-tuning model weights. Traditional approaches to private adaptation, such as DP-SGD, incur significant computational and memory overhead when applied to large, complex models. In addition, when adapting to small-scale specialized datasets, DP-SGD incurs large amount of noise that significantly degrades the performance. Our approach instead leverages an embedding-based technique derived from Textual Inversion (TI) and adapted with differentially private mechanisms. We apply TI to Stable Diffusion for style adaptation using two private datasets: a collection of artworks by a single artist and pictograms from the Paris 2024 Olympics. Experimental results show that the TI-based adaptation achieves superior fidelity in style transfer, even under strong privacy guarantees.
Authors: Yuda Song, Hanlin Zhang, Carson Eisenach, Sham Kakade, Dean Foster, Udaya Ghai
Abstract: Self-improvement is a mechanism in Large Language Model (LLM) pre-training, post-training and test-time inference. We explore a framework where the model verifies its own outputs, filters or reweights data based on this verification, and distills the filtered data. Despite several empirical successes, a fundamental understanding is still lacking. In this work, we initiate a comprehensive, modular and controlled study on LLM self-improvement. We provide a mathematical formulation for self-improvement, which is largely governed by a quantity which we formalize as the generation-verification gap. Through experiments with various model families and tasks, we discover a scaling phenomenon of self-improvement -- a variant of the generation-verification gap scales monotonically with the model pre-training flops. We also examine when self-improvement is possible, an iterative self-improvement procedure, and ways to improve its performance. Our findings not only advance understanding of LLM self-improvement with practical implications, but also open numerous avenues for future research into its capabilities and boundaries.
Authors: Kainan Liu, Yong Zhang, Ning Cheng, Zhitao Li, Shaojun Wang, Jing Xiao
Abstract: Layer removal is an effective technique for compressing large language models (LLMs) by reducing redundancy and improving inference efficiency. However, indiscriminate pruning disrupts representation stability, leading to performance degradation. We propose GRASP (Gradient-based Retention of Adaptive Singular Parameters), which preserves representation-critical singular values to mitigate these effects. Unlike direct layer removal, GRASP leverages gradient-based attribution on a syntax- and semantics-rich dataset to guide the selection of representation-critical singular values. By selectively applying singular value decomposition (SVD) to affected layers, GRASP achieves efficient compression while maintaining representation stability with minimal overhead. Experiments across multiple LLMs show that GRASP consistently outperforms existing compression methods in perplexity and downstream task performance.
Authors: Yanwen Huang, Yong Zhang, Ning Cheng, Zhitao Li, Shaojun Wang, Jing Xiao
Abstract: Large language models (LLMs) often exhibit Context Faithfulness Hallucinations, where outputs deviate from retrieved information due to incomplete context integration. Our analysis reveals a strong correlation between token-level uncertainty and hallucinations. We hypothesize that attention mechanisms inherently encode context utilization signals, supported by probing analysis. Based on these insights, we propose Dynamic Attention-Guided Context Decoding (DAGCD), a lightweight framework that leverages attention distributions and uncertainty signals in a single-pass decoding. Experiments on open-book QA datasets demonstrate DAGCD's effectiveness, yielding significant improvements in faithfulness and robustness while preserving computational efficiency.
Authors: Reza Ghane, Anthony Bao, Danil Akhtiamov, Babak Hassibi
Abstract: We show via a combination of mathematical arguments and empirical evidence that data distributions sampled from diffusion models satisfy a Concentration of Measure Property saying that any Lipschitz $1$-dimensional projection of a random vector is not too far from its mean with high probability. This implies that such models are quite restrictive and gives an explanation for a fact previously observed in the literature that conventional diffusion models cannot capture "heavy-tailed" data (i.e. data $\mathbf{x}$ for which the norm $\|\mathbf{x}\|_2$ does not possess a sub-Gaussian tail) well. We then proceed to train a generalized linear model using stochastic gradient descent (SGD) on the diffusion-generated data for a multiclass classification task and observe empirically that a Gaussian universality result holds for the test error. In other words, the test error depends only on the first and second order statistics of the diffusion-generated data in the linear setting. Results of such forms are desirable because they allow one to assume the data itself is Gaussian for analyzing performance of the trained classifier. Finally, we note that current approaches to proving universality do not apply to this case as the covariance matrices of the data tend to have vanishing minimum singular values for the diffusion-generated data, while the current proofs assume that this is not the case (see Subsection 3.4 for more details). This leaves extending previous mathematical universality results as an intriguing open question.
Authors: Hansoo Park, Chanwoo Kim, Jihyeon Kim, Hoseong Cho, Nhat Nguyen Bao Truong, Taehwan Kim, Seungryul Baek
Abstract: RGB-based 3D pose estimation methods have been successful with the development of deep learning and the emergence of high-quality 3D pose datasets. However, most existing methods do not operate well for testing images whose distribution is far from that of training data. However, most existing methods do not operate well for testing images whose distribution is far from that of training data. This problem might be alleviated by involving diverse data during training, however it is non-trivial to collect such diverse data with corresponding labels (i.e. 3D pose). In this paper, we introduced an unsupervised domain adaptation framework for 3D pose estimation that utilizes the unlabeled data in addition to labeled data via masked image modeling (MIM) framework. Foreground-centric reconstruction and attention regularization are further proposed to increase the effectiveness of unlabeled data usage. Experiments are conducted on the various datasets in human and hand pose estimation tasks, especially using the cross-domain scenario. We demonstrated the effectiveness of ours by achieving the state-of-the-art accuracy on all datasets.
Authors: Chengyi Cai, Zesheng Ye, Lei Feng, Jianzhong Qi, Feng Liu
Abstract: Visual reprogramming (VR) reuses pre-trained vision models for downstream image classification tasks by adding trainable noise patterns to inputs. When applied to vision-language models (e.g., CLIP), existing VR approaches follow the same pipeline used in vision models (e.g., ResNet, ViT), where ground-truth class labels are inserted into fixed text templates to guide the optimization of VR patterns. This label-based approach, however, overlooks the rich information and diverse attribute-guided textual representations that CLIP can exploit, which may lead to the misclassification of samples. In this paper, we propose Attribute-based Visual Reprogramming (AttrVR) for CLIP, utilizing descriptive attributes (DesAttrs) and distinctive attributes (DistAttrs), which respectively represent common and unique feature descriptions for different classes. Besides, as images of the same class may reflect different attributes after VR, AttrVR iteratively refines patterns using the $k$-nearest DesAttrs and DistAttrs for each image sample, enabling more dynamic and sample-specific optimization. Theoretically, AttrVR is shown to reduce intra-class variance and increase inter-class separation. Empirically, it achieves superior performance in 12 downstream tasks for both ViT-based and ResNet-based CLIP. The success of AttrVR facilitates more effective integration of VR from unimodal vision models into vision-language models. Our code is available at https://github.com/tmlr-group/AttrVR.
Authors: Jin Hyun Park, Utsawb Laminchhane, Umer Farooq, Uma Sivakumar, Arpan Kumar
Abstract: Large language models (LLMs) are increasingly utilized for machine translation, yet their predictions often exhibit uncertainties that hinder interpretability and user trust. Effectively visualizing these uncertainties can enhance the usability of LLM outputs, particularly in contexts where translation accuracy is critical. This paper addresses two primary objectives: (1) providing users with token-level insights into model confidence and (2) developing a web-based visualization tool to quantify and represent translation uncertainties. To achieve these goals, we utilized the T5 model with the WMT19 dataset for translation tasks and evaluated translation quality using established metrics such as BLEU, METEOR, and ROUGE. We introduced three novel uncertainty quantification (UQ) metrics: (1) the geometric mean of token probabilities, (2) the arithmetic mean of token probabilities, and (3) the arithmetic mean of the kurtosis of token distributions. These metrics provide a simple yet effective framework for evaluating translation performance. Our analysis revealed a linear relationship between the traditional evaluation metrics and our UQ metrics, demonstrating the validity of our approach. Additionally, we developed an interactive web-based visualization that uses a color gradient to represent token confidence. This tool offers users a clear and intuitive understanding of translation quality while providing valuable insights into model performance. Overall, we show that our UQ metrics and visualization are both robust and interpretable, offering practical tools for evaluating and accessing machine translation systems.
Authors: Wen Lai, Alexander Fraser, Ivan Titov
Abstract: Parameter-efficient fine-tuning (PEFT) methods, such as LoRA, are commonly used to adapt LLMs. However, the effectiveness of standard PEFT methods is limited in low-resource scenarios with only a few hundred examples. Recent advances in interpretability research have inspired the emergence of activation editing techniques, which modify the activations of specific model components. These methods, due to their extremely small parameter counts, show promise for small datasets. However, their performance is highly dependent on identifying the correct modules to edit and often lacks stability across different datasets. In this paper, we propose Joint Localization and Activation Editing (JoLA), a method that jointly learns (1) which heads in the Transformer to edit (2) whether the intervention should be additive, multiplicative, or both and (3) the intervention parameters themselves - the vectors applied as additive offsets or multiplicative scalings to the head output. Through evaluations on three benchmarks spanning commonsense reasoning, natural language understanding, and natural language generation, we demonstrate that JoLA consistently outperforms existing methods.
Authors: Felix Hofst\"atter, Teun van der Weij, Jayden Teoh, Henning Bartsch, Francis Rhys Ward
Abstract: Capability evaluations are required to understand and regulate AI systems that may be deployed or further developed. Therefore, it is important that evaluations provide an accurate estimation of an AI system's capabilities. However, in numerous cases, previously latent capabilities have been elicited from models, sometimes long after initial release. Accordingly, substantial efforts have been made to develop methods for eliciting latent capabilities from models. In this paper, we evaluate the effectiveness of capability elicitation techniques by intentionally training model organisms -- language models with hidden capabilities that are revealed by a password. We introduce a novel method for training model organisms, based on circuit breaking, which is more robust to elicitation techniques than standard password-locked models. We focus on elicitation techniques based on prompting and activation steering, and compare these to fine-tuning methods. Prompting techniques can elicit the actual capability of both password-locked and circuit-broken model organisms in an MCQA setting, while steering fails to do so. For a code-generation task, only fine-tuning can elicit the hidden capabilities of our novel model organism. Additionally, our results suggest that combining techniques improves elicitation. Still, if possible, fine-tuning should be the method of choice to improve the trustworthiness of capability evaluations.
Authors: Mohammadreza Baharani, Ghazal Alinezhad Noghre, Armin Danesh Pazho, Gabriel Maldonado, Hamed Tabkhi
Abstract: Foundation Models (FM) have increasingly drawn the attention of researchers due to their scalability and generalization across diverse tasks. Inspired by the success of FMs and the principles that have driven advancements in Large Language Models (LLMs), we introduce MoFM as a novel Motion Foundation Model. MoFM is designed for the semantic understanding of complex human motions in both time and space. To facilitate large-scale training, MotionBook, a comprehensive human motion dictionary of discretized motions is designed and employed. MotionBook utilizes Thermal Cubes to capture spatio-temporal motion heatmaps, applying principles from discrete variational models to encode human movements into discrete units for a more efficient and scalable representation. MoFM, trained on a large corpus of motion data, provides a foundational backbone adaptable to diverse downstream tasks, supporting paradigms such as one-shot, unsupervised, and supervised tasks. This versatility makes MoFM well-suited for a wide range of motion-based applications.
Authors: Libo Wang
Abstract: To reduce the cost and consumption of computing resources caused by computational redundancy and delayed reward assignment in long CoT, this research proposes the dynamic chain-of-thought (D-CoT) with adaptive reasoning time and steps. The researcher used simulation experiment to simulate the integration of D-CoT through Python 3.13 IDLE combined with a Python simulator based on GPTs. At the same time, the researcher used DeepSeek R1 as a control group to test and compare the performance of the D-CoT simulator in processing MIT OpenCourseWare's linear algebra exam questions. Experimental results show that D-CoT is better than DeepSeek R1 based on long CoT in three indicators: reasoning time, CoT length (reasoning steps) and token count, which achieves a significant reduction in computing resource consumption. In addition, this research has potential value in deep reasoning optimization that is used as a reference for future dynamic deep reasoning frameworks.
Authors: Kaikai Zhao, Zhaoxiang Liu, Xuejiao Lei, Ning Wang, Zhenhong Long, Jiaojiao Zhao, Zipeng Wang, Peijun Yang, Minjie Hua, Chaoyang Ma, Wen Liu, Kai Wang, Shiguo Lian
Abstract: DeepSeek-R1, known for its low training cost and exceptional reasoning capabilities, has achieved state-of-the-art performance on various benchmarks. However, detailed evaluations from the perspective of real-world applications are lacking, making it challenging for users to select the most suitable DeepSeek models for their specific needs. To address this gap, we evaluate the DeepSeek-V3, DeepSeek-R1, DeepSeek-R1-Distill-Qwen series, DeepSeek-R1-Distill-Llama series, and their corresponding 4-bit quantized models on the enhanced A-Eval benchmark, A-Eval-2.0. By comparing original instruction-tuned models with their distilled counterparts, we analyze how reasoning enhancements impact performance across diverse practical tasks. Our results show that reasoning-enhanced models, while generally powerful, do not universally outperform across all tasks, with performance gains varying significantly across tasks and models. To further assist users in model selection, we quantify the capability boundary of DeepSeek models through performance tier classifications and intuitive line charts. Specific examples provide actionable insights to help users select and deploy the most cost-effective DeepSeek models, ensuring optimal performance and resource efficiency in real-world applications. It should be noted that, despite our efforts to establish a comprehensive, objective, and authoritative evaluation benchmark, the selection of test samples, characteristics of data distribution, and the setting of evaluation criteria may inevitably introduce certain biases into the evaluation results. We will continuously optimize the evaluation benchmarks and periodically update this paper to provide more comprehensive and accurate evaluation results. Please refer to the latest version of the paper for the most recent results and conclusions.
Authors: Dario Garcia-Gasulla, Adrian Tormos, Anna Arias-Duart, Daniel Hinjos, Oscar Molina-Sedano, Ashwin Kumar Gururajan, Maria Eugenia Cardello
Abstract: Direct Preference Optimization (DPO) is an efficient alignment technique that steers LLMs towards preferable outputs by training on preference data, bypassing the need for explicit reward models. Its simplicity enables easy adaptation to various domains and safety requirements. This paper examines DPO's effectiveness in model safety against jailbreaking attacks while minimizing data requirements and training costs. We introduce Egida, a dataset expanded from multiple sources, which includes 27 different safety topics and 18 different attack styles, complemented with synthetic and human labels. This data is used to boost the safety of state-of-the-art LLMs (Llama-3.1-8B/70B-Instruct, Qwen-2.5-7B/72B-Instruct) across topics and attack styles. In addition to safety evaluations, we assess their post-alignment performance degradation in general purpose tasks, and their tendency to over refusal. Following the proposed methodology, trained models reduce their Attack Success Rate by 10%-30%, using small training efforts (2,000 samples) with low computational cost (3\$ for 8B models, 20\$ for 72B models). Safety aligned models generalize to unseen topics and attack styles, with the most successful attack style reaching a success rate around 5%. Size and family are found to strongly influence model malleability towards safety, pointing at the importance of pre-training choices. To validate our findings, a large independent assessment of human preference agreement with Llama-Guard-3-8B is conducted by the authors and the associated dataset Egida-HSafe is released. Overall, this study illustrates how affordable and accessible it is to enhance LLM safety using DPO while outlining its current limitations. All datasets and models are released to enable reproducibility and further research.
Authors: Yucheng Shi, Quanzheng Li, Jin Sun, Xiang Li, Ninghao Liu
Abstract: Large Multimodal Models (LMMs), or Vision-Language Models (VLMs), have shown impressive capabilities in a wide range of visual tasks. However, they often struggle with fine-grained visual reasoning, failing to identify domain-specific objectives and provide justifiable explanations for their predictions. To address the above challenge, we propose a novel visual rejection sampling framework to improve the cognition and explainability of LMMs using self-synthesized data. Specifically, visual fine-tuning requires images, queries, and target answers. Our approach begins by synthesizing interpretable answers that include human-verifiable visual features. These features are based on expert-defined concepts, and carefully selected based on their alignment with the image content. After each round of fine-tuning, we apply a reward model-free filtering mechanism to select the highest-quality interpretable answers for the next round of tuning. This iterative process of synthetic data generation and fine-tuning progressively improves the model's ability to generate accurate and reasonable explanations. Experimental results demonstrate the effectiveness of our method in improving both the accuracy and explainability of specialized visual classification tasks.
Authors: Xuankai Yang, Yan Wang, Xiuzhen Zhang, Shoujin Wang, Huaxiong Wang, Kwok Yan Lam
Abstract: Cross-domain fake news detection aims to mitigate domain shift and improve detection performance by transferring knowledge across domains. Existing approaches transfer knowledge based on news content and user engagements from a source domain to a target domain. However, these approaches face two main limitations, hindering effective knowledge transfer and optimal fake news detection performance. Firstly, from a micro perspective, they neglect the negative impact of veracity-irrelevant features in news content when transferring domain-shared features across domains. Secondly, from a macro perspective, existing approaches ignore the relationship between user engagement and news content, which reveals shared behaviors of common users across domains and can facilitate more effective knowledge transfer. To address these limitations, we propose a novel macro- and micro- hierarchical transfer learning framework (MMHT) for cross-domain fake news detection. Firstly, we propose a micro-hierarchical disentangling module to disentangle veracity-relevant and veracity-irrelevant features from news content in the source domain for improving fake news detection performance in the target domain. Secondly, we propose a macro-hierarchical transfer learning module to generate engagement features based on common users' shared behaviors in different domains for improving effectiveness of knowledge transfer. Extensive experiments on real-world datasets demonstrate that our framework significantly outperforms the state-of-the-art baselines.
Authors: Rowan P. Sommers, Sushrut Thorat, Daniel Anthes, Tim C. Kietzmann
Abstract: Flexible cognition demands discovering hidden rules to quickly adapt stimulus-response mappings. Standard neural networks struggle in such tasks requiring rapid, context-driven remapping. Recently, Hummos (2023) introduced a fast-and-slow learning algorithm to mitigate this shortcoming, but its scalability to complex, image-computable tasks was unclear. Here, we propose the Wisconsin Neural Network (WiNN), which extends Hummos' fast-and-slow learning to image-computable tasks demanding flexible rule-based behavior. WiNN employs a pretrained convolutional neural network for vision, coupled with an adjustable "context state" that guides attention to relevant features. If WiNN produces an incorrect response, it first iteratively updates its context state to refocus attention on task-relevant cues, then performs minimal parameter updates to attention and readout layers. This strategy preserves generalizable representations in the sensory and attention networks, reducing catastrophic forgetting. We evaluate WiNN on an image-based extension of the Wisconsin Card Sorting Task, revealing several markers of cognitive flexibility: (i) WiNN autonomously infers underlying rules, (ii) requires fewer examples to do so than control models reliant on large-scale parameter updates, (iii) can perform context-based rule inference solely via context-state adjustments-further enhanced by slow updates of attention and readout parameters, and (iv) generalizes to unseen compositional rules through context-state updates alone. By blending fast context inference with targeted attentional guidance, WiNN achieves "sparks" of flexibility. This approach offers a path toward context-sensitive models that retain knowledge while rapidly adapting to complex, rule-based tasks.
Authors: Andr\'e V. Duarte, Xuandong Zhao, Arlindo L. Oliveira, Lei Li
Abstract: How can we verify whether copyrighted content was used to train a large vision-language model (VLM) without direct access to its training data? Motivated by the hypothesis that a VLM is able to recognize images from its training corpus, we propose DIS-CO, a novel approach to infer the inclusion of copyrighted content during the model's development. By repeatedly querying a VLM with specific frames from targeted copyrighted material, DIS-CO extracts the content's identity through free-form text completions. To assess its effectiveness, we introduce MovieTection, a benchmark comprising 14,000 frames paired with detailed captions, drawn from films released both before and after a model's training cutoff. Our results show that DIS-CO significantly improves detection performance, nearly doubling the average AUC of the best prior method on models with logits available. Our findings also highlight a broader concern: all tested models appear to have been exposed to some extent to copyrighted content. Our code and data are available at https://github.com/avduarte333/DIS-CO
Authors: Jun Liu
Abstract: Convergence analysis of Nesterov's accelerated gradient method has attracted significant attention over the past decades. While extensive work has explored its theoretical properties and elucidated the intuition behind its acceleration, a simple and direct proof of its convergence rates is still lacking. We provide a concise Lyapunov analysis of the convergence rates of Nesterov's accelerated gradient method for both general convex and strongly convex functions.